SCHEMBL7590797

SCHEMBL7590797

CCCOc1ccc(C(=O)c2c(Cl)cc(Cl)cc2Cl)cc1Cc1ccc(=O)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 1/20 0.38
PPARG P37231 1/20 0.38
NLRP3 Q96P20 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
ADRB2 P07550 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTGER1 P34995 1/20 0.34
THRA P10827 1/20 0.34
F10 P00742 1/20 0.34

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
SCHEMBL7583097 0.92 ALDH1A1 (0.41) L3MBTL1ALDH1A1MAPTUSP2CYP3A4
SCHEMBL7585660 0.88 ADRB2 (0.44) POLBALDH1A1MAPTHTTCYP3A4
SCHEMBL7584283 0.85 GAA (0.40) ALDH1A1CYP3A4TDP1ADRB2MRGPRX4
SCHEMBL7589686 0.83 CYP3A4 (0.44) POLBHTTCYP3A4THRA
SCHEMBL7583539 0.82 CYP3A4 (0.42) POLBMAPTCYP3A4MRGPRX4THRA
SCHEMBL7583126 0.82 ADRB2 (0.39) L3MBTL1POLBALDH1A1MAPTHTT
SCHEMBL7583085 0.81 CYP3A4 (0.45) L3MBTL1POLBALDH1A1MAPTUSP2
SCHEMBL7582260 0.81 CYP3A4 (0.42) POLBCYP3A4SMN1; SMN2MRGPRX4THRA
SCHEMBL7584819 0.81 ADRB2 (0.39) L3MBTL1POLBALDH1A1MAPTCYP3A4
SCHEMBL8505616 0.80 L3MBTL1 (0.42) L3MBTL1POLBALDH1A1MAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0810218-B1 6-Benzyl-2H-pyridazin-3-one derivatives,their preparation and their use as inhibitors of prostaglandin G/H synthase I and II (COX I and COX II) HOFFMANN LA ROCHE (CH) 2002-12-04 EP disclosed
EP-0810218-A1 6-Benzyl-2H-pyridazin-3-one derivatives,their preparation and their use as inhibitors of prostaglandin G/H synthase I and II (COX I and COX II) F. HOFFMANN-LA ROCHE AG (CH) 1997-12-03 EP disclosed