SCHEMBL4965799

SCHEMBL4965799

CCC(O)(O)Nc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.51
ALDH1A1 P00352 4/20 0.51
CDC25B P30305 3/20 0.50
CDC25A P30304 1/20 0.50
CDC25C P30307 1/20 0.50
KDM4E B2RXH2 4/20 0.49
LMNA P02545 1/20 0.49
EPHX1 P07099 1/20 0.46
GAA P10253 3/20 0.44
CA12 O43570 2/20 0.44
CA4 P22748 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
TSHR P16473 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.43
KEAP1 Q14145 1/20 0.43
CA3 P07451 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7204796 0.82 CLCN2 (0.38) ALDH1A1CDC25BCDC25ACDC25CLMNA
SCHEMBL2781421 0.76 CA12 (0.49) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL18351233 0.75 ALDH1A1 (0.47) HPGDALDH1A1CDC25BKDM4ELMNA
SCHEMBL31303189 0.75 IDO1 (0.55) HPGDALDH1A1CDC25BKDM4ELMNA
SCHEMBL2622223 0.75 IDO1 (0.55) HPGDALDH1A1CDC25BKDM4ELMNA
Oxalic Acid SCHEMBL2791283 0.72 KDM4E (0.46) HPGDALDH1A1CDC25BCDC25ACDC25C
Methyl Alcohol SCHEMBL28291017 0.72 CA12 (0.56) HPGDALDH1A1CDC25BCDC25ACDC25C
SCHEMBL4739865 0.71 CCR4 (0.44) HPGDALDH1A1CDC25BKDM4ELMNA
SCHEMBL21653048 0.71 TRPV1 (0.41) HPGDALDH1A1CDC25BKDM4ELMNA
SCHEMBL21038250 0.71 TRPV1 (0.41) HPGDALDH1A1CDC25BCDC25ACDC25C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962815-A1 USE OF FILM-FORMING HAIR-CARE POLYMERS FROM THE GROUP OF POLYURETHANES AND PHARMACEUTICAL PREPARATIONS AND PLASTERS CONTAINING SAID POLYMERS Epinamics GmbH (DE) 2008-09-03 EP disclosed
WO-2007077029-A1 USE OF FILM-FORMING HAIR-CARE POLYMERS FROM THE GROUP OF POLYURETHANES AND PHARMACEUTICAL PREPARATIONS AND PLASTERS CONTAINING SAID POLYMERS EPINAMICS GMBH (DE) 2007-07-12 WO disclosed
US-6500849-B1 ADMINISTERING ANTIINFLAMMATORY, ANTIPROLIFERATIVE, NOOTROPIC OR ANTIGROWTH AGENTS, SUCH AS 6-(1-DODECYNYL)-2-PYRIDINE-CARBOXALDEHYDE AND ENANTIOMORPHS TO MAMMALS; ALZHEIMERS DISEASE AVENTIS PHARMACEUTICALS INC. 2002-12-31 US disclosed
US-5977147-A ANTITUMOR HOECHST MARION ROUSSEL (US) 1999-11-02 US disclosed
US-5614631-A ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS, NOOTROPIC AGENTS, BACTERICIDES, FUNGICIDES HOECHST MARION ROUSSEL, INC. (US) 1997-03-25 US disclosed
US-5597838-A REDUCING INFLAMMATION AND CELL PROLIFERATION, RELIEVING MEMORY DYSFUNCTION, INHIBITING BACTERIAL AND FUNGAL GROWTH HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1997-01-28 US disclosed
US-5574164-A 1-alkyl-,1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds HOESCHT ROUSSEL PHARMACEUTICALS INC. (US) 1996-11-12 US disclosed
US-5571923-A 3-/1-DODECYL/-5-ISOXAZOLEMETHANOL INTERMEDIATE HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-11-05 US disclosed
US-5565584-A CHEMICAL INTERMEDIATES HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-10-15 US disclosed
US-5557006-A 1-Alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-09-17 US disclosed
US-5550247-A ANTIINFLAMMATORY AGENT, ANTITUMOR AGENT, COGNITION ACTIVATORS, BACTERICIDES, FUNGICIDES HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-08-27 US disclosed
US-5534640-A REDUCING INFLAMMATION AND CELL PROLIFERATION, COGNITION ACTIVATORS, BACTERIOSTATS, FUNGISTATS HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
US-5534636-A ANTIINFLAMMATORY AGENTS, ANTITUMOR AGENT, COGNITION ACTIVATORS,BACTERICIDES, AND FUNGICIDES HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1996-07-09 US disclosed
US-5519062-A ANTIINFLAMMATORY HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-05-21 US disclosed
US-5488063-A ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
US-5488061-A ANTIINFLAMMATORY, ANTICARACINOGENIC AGENTS; BACTERICIDES, FUNGICIDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1996-01-30 US disclosed
US-5360811-A 1-alkyl-, 1-alkenyl-, and 1-alkynylaryl-2-amino-1,3-propanediols and related compounds as anti-inflammatory agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-11-01 US disclosed