SCHEMBL7684833

SCHEMBL7684833

CCCCCCC=CCCCCc1ccsc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.48
F3 P13726 3/20 0.48
MMP2 P08253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
ECE1 P42892 1/20 0.48
SGMS1 Q86VZ5 1/20 0.48
SGMS2 Q8NHU3 1/20 0.48
MUS81 Q96NY9 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SAE1 Q9UBE0 1/20 0.48
BID P55957 3/20 0.45
BCL2L1 Q07817 3/20 0.45
MCL1 Q07820 3/20 0.45
BAK1 Q16611 3/20 0.45
FAAH O00519 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
EPHX2 P34913 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL2146038 0.92 HIF1A (0.42) F7F3MMP2KDM4EMAPT
SCHEMBL371668 0.92 HIF1A (0.42) F7F3MMP2KDM4EMAPT
SCHEMBL820018 0.92 HIF1A (0.42) F7F3MMP2KDM4EMAPT
SCHEMBL18825900 0.92 HIF1A (0.42) F7F3MMP2KDM4EMAPT
SCHEMBL18826026 0.92 HIF1A (0.42) F7F3MMP2KDM4EMAPT
SCHEMBL18826032 0.92 HIF1A (0.42) F7F3MMP2KDM4EMAPT
SCHEMBL10301447 0.92 HIF1A (0.42) F7F3MMP2KDM4EMAPT
SCHEMBL18825997 0.91 HIF1A (0.40) F7F3MMP2KDM4EMAPT
SCHEMBL6819727 0.86 TYR (0.38) KDM4EMAPTALOX15SAE1BID
SCHEMBL7687682 0.84 HIF1A (0.37) MAPTALOX15SAE1BIDBCL2L1

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
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
EP-0446798-B1 1-alkyl-, 1-alkenyl- and 1-alkynylaryl-2-amino-1, 3-propanediols and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1994-11-23 EP 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
EP-0446798-A1 1-alkyl-, 1-alkenyl- and 1-alkynylaryl-2-amino-1, 3-propanediols and related compounds, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-09-18 EP disclosed