SCHEMBL8887918

SCHEMBL8887918

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGER1 P34995 8/20 0.65
▸ MAPT P10636 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ ALOX15 P16050 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ THPO P40225 1/20 0.63
▸ PMP22 Q01453 1/20 0.63
▸ PTGER2 P43116 4/20 0.58

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
SCHEMBL9158142 0.91 MAPT (0.61) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8886433 0.85 PTGER1 (0.69) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8887904 0.84 PTGER1 (0.64) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8885341 0.83 PTGER1 (0.68) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8887104 0.82 PTGER1 (0.69) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9187686 0.81 PTGER1 (0.65) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8886654 0.81 PTGER1 (0.65) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8888007 0.81 MAPT (0.69) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL9857831 0.80 ALDH1A1 (0.73) PTGER1MAPTKMT2AMEN1ALDH1A1
SCHEMBL8884184 0.80 PTGER1 (0.57) PTGER1MAPTKMT2AMEN1ALDH1A1

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
Send feedback