SCHEMBL8465221

SCHEMBL8465221

CCCCCCCCC#Cc1ccc2nc(C(O)C(CO)NC(C)=O)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
ACACB O00763 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7683369 0.87 FFAR1 (0.40) FFAR1FFAR4MMP2MMP12ACACB
SCHEMBL7681008 0.84 LMNA (0.36) FFAR1FFAR4MMP2MMP12ACACB
SCHEMBL8888060 0.82
Maleic Acid SCHEMBL8465327 0.80
SCHEMBL7680868 0.79 CYP2C9 (0.39) TP53CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL7687493 0.79 CYP2C9 (0.39) TP53CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL7686643 0.79 CYP2C9 (0.39) TP53CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL7682646 0.79 CYP2C9 (0.39) TP53CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL7686912 0.79 CYP2C9 (0.39) TP53CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL7684939 0.78 TP53 (0.40) FFAR1FFAR4MMP2MMP12TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614631-A ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS, NOOTROPIC AGENTS, BACTERICIDES, FUNGICIDES HOECHST MARION ROUSSEL, INC. (US) 1997-03-25 US claimed
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