SCHEMBL7002889

SCHEMBL7002889

O=C(c1ccccc1)C1C2C=CC(CC2)C1C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
POLB P06746 2/20 0.52
APEX1 P27695 1/20 0.52
MCL1 Q07820 1/20 0.46
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
HBB P68871 1/20 0.42
EPHX1 P07099 1/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
DAO P14920 1/20 0.41
TSHR P16473 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR2A P28223 1/20 0.39
CPB1 P15086 1/20 0.39

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
SCHEMBL6994870 0.88 TDP1 (0.54) TDP1POLBMCL1MAPTALOX15
SCHEMBL21895670 0.81 MCL1 (0.38) TDP1POLBAPEX1MCL1MAPT
SCHEMBL6995042 0.80 HSD11B1 (0.47) TDP1POLBAPEX1CES2CES1
SCHEMBL3321763 0.76 KMT2A (0.49) TDP1POLBALDH1A1
SCHEMBL21340413 0.75 POLB (0.50) POLBMCL1MAPTALOX15HTT
SCHEMBL22570568 0.73 MCL1 (0.52) TDP1POLBMCL1MAPTALOX15
SCHEMBL13400656 0.73 MAPT (0.48) TDP1POLBMCL1MAPTALOX15
SCHEMBL18428493 0.73 HTR2A (0.56) MCL1ALDH1A1HTR2ACPB1
SCHEMBL324342 0.73 HTR2A (0.56) MCL1ALDH1A1HTR2ACPB1
Acetic Acid SCHEMBL2762930 0.72 HTR2A (0.51) MCL1ALDH1A1HTR2ACPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0921119-B1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-07-02 EP disclosed
US-6114360-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-09-05 US disclosed
US-6063804-A Pyrrole compounds ADIR ET COMPAGNIE (FR) 2000-05-16 US disclosed
EP-0921119-A1 Pyrrole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-06-09 EP disclosed