SCHEMBL9162333

SCHEMBL9162333

O=C(CCC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21)CCc1ccncc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.71
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ THPO P40225 1/20 0.52
▸ PMP22 Q01453 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ PTGER2 P43116 4/20 0.51
▸ TP53 P04637 2/20 0.47

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
SCHEMBL9185468 0.86 PTGER1 (0.76) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9275910 0.85 PTGER1 (0.69) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9172432 0.83 PTGER1 (0.68) PTGER1MAPTMEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL29468714 0.83 PTGER1 (0.98) PTGER1MAPTMEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL5944364 0.83 PTGER1 (0.98) PTGER1MAPTMEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL31012289 0.82 PTGER1 (0.96) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9275435 0.81 PTGER1 (0.66) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8885132 0.80 PTGER1 (0.65) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8886086 0.80 PTGER1 (0.67) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8887008 0.80 PTGER1 (0.72) PTGER1MAPTMEN1ALDH1A1CYP1A2

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
US-5449673-A Analgesics G. D. SEARLE & CO. (US) 1995-09-12 — — US claimed
WO-1993007132-A1 10-ACYL-DIBENZ(B,F)(1,4)-OXAZEPINES AND THEIR THIAZEPINES AND DIAZEPINES ANALOGUES USEFUL AS PROSTAGLANDIN ANTAGONISTS G.D. SEARLE & CO. (US) 1993-04-15 — — WO claimed
US-5449673-A Analgesics G. D. SEARLE & CO. (US) 1995-09-12 — — US disclosed
WO-1993007132-A1 10-ACYL-DIBENZ(B,F)(1,4)-OXAZEPINES AND THEIR THIAZEPINES AND DIAZEPINES ANALOGUES USEFUL AS PROSTAGLANDIN ANTAGONISTS G.D. SEARLE & CO. (US) 1993-04-15 — — WO disclosed
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