SCHEMBL8886433

SCHEMBL8886433

O=C(O)CNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.69
▸ MAPT P10636 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ ALDH1A1 P00352 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68
▸ CYP3A4 P08684 1/20 0.68
▸ CYP2D6 P10635 1/20 0.68
▸ ALOX15 P16050 1/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ THPO P40225 1/20 0.68
▸ PMP22 Q01453 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ PTGER2 P43116 4/20 0.63
▸ P2RX4 Q99571 1/20 0.42
▸ HSD17B3 P37058 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
SCHEMBL9187686 0.87 PTGER1 (0.65) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8885341 0.86 PTGER1 (0.68) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8888007 0.85 MAPT (0.69) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8887918 0.85 PTGER1 (0.65) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8887904 0.84 PTGER1 (0.64) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9857831 0.84 ALDH1A1 (0.73) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL676665 0.83 MEN1 (0.69) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL8886654 0.83 PTGER1 (0.65) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL9190533 0.83 PTGER1 (0.77) PTGER1MAPTMEN1ALDH1A1CYP1A2
SCHEMBL11839545 0.83 PTGER2 (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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