SCHEMBL7678384

SCHEMBL7678384

CC(=O)NC(CO)C(O)c1cccc(C#CCCCc2ccccc2)n1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.51
CXCR2 P25025 1/20 0.36
CTRB1 P17538 4/20 0.36
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
ACACB O00763 1/20 0.34
LMNA P02545 1/20 0.34
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL7680381 0.96 GRM5 (0.47) GRM5CXCR2CTRB1ADRB2ADRB1
SCHEMBL7687707 0.88 TP53 (0.36) GRM5ACACBLMNAGPR55
SCHEMBL7687493 0.86 CYP2C9 (0.39)
SCHEMBL7686643 0.86 CYP2C9 (0.39)
SCHEMBL7686912 0.86 CYP2C9 (0.39)
SCHEMBL7682646 0.86 CYP2C9 (0.39)
SCHEMBL7680868 0.86 CYP2C9 (0.39)
SCHEMBL7685131 0.83 GRM5 (0.50) GRM5CXCR2ADRB2ADRB1ADRB3
SCHEMBL7687704 0.81 GRM5 (0.46) GRM5CXCR2ADRB2ADRB1ADRB3
SCHEMBL8465635 0.81 POLB (0.40) CTRB1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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