SCHEMBL8888016

SCHEMBL8888016

CC(NC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.69
▸ MEN1 O00255 1/20 0.69
▸ ALDH1A1 P00352 1/20 0.69
▸ CYP1A2 P05177 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ ALOX15 P16050 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ THPO P40225 1/20 0.69
▸ PMP22 Q01453 1/20 0.69
▸ KMT2A Q03164 1/20 0.69
▸ PTGER2 P43116 4/20 0.58
▸ PTGER1 P34995 8/20 0.58
▸ HSD17B3 P37058 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ PTPN11 Q06124 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
SCHEMBL8886809 1.00 MAPT (0.69) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8886425 1.00 MAPT (0.69) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9158125 0.85 MEN1 (0.61) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9857831 0.82 ALDH1A1 (0.73) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8884393 0.82 PTGER1 (0.63) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8885159 0.82 PTGER1 (0.63) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL676665 0.81 MEN1 (0.69) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL12648484 0.81 MEN1 (1.00) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL29362115 0.81 MEN1 (1.00) MAPTMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL29829316 0.81 MEN1 (1.00) MAPTMEN1ALDH1A1CYP1A2CYP3A4

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
WO-1995033733-A1 SUBSTITUTED DIBENZOXAZEPINE AND DIBENZOTHIAZEPINE UREAS USEFUL AS PROSTAGLANDIN ANTAGONISTS G.D. SEARLE & CO. (US) 1995-12-14 — — WO claimed
US-5661146-A ANALGESICS G.D. SEARLE & CO. (US) 1997-08-26 — — US disclosed
US-5449675-A Analgesics G. D. SEARLE & CO. (US) 1995-09-12 — — US disclosed
US-5441950-A Analgesics, prostaglandin E2 antagonists G. D. SEARLE & CO. (US) 1995-08-15 — — US disclosed
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