SCHEMBL9423796

SCHEMBL9423796

CCOC(=O)C1CN(c2c(N3Cc4ccccc4Oc4ccc(Cl)cc43)c(=O)c2=O)CCN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40
▸ PMP22 Q01453 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ PTGER1 P34995 3/20 0.38
▸ PTGER2 P43116 1/20 0.36
▸ PGR P06401 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL9392440 0.90 MAPT (0.42) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9277049 0.83 PTGER1 (0.49) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9394554 0.77 MAPT (0.45) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9423793 0.75 MEN1 (0.53) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9393942 0.73 MEN1 (0.46) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9393936 0.71 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL9273057 0.65 MEN1 (0.57) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9423418 0.65 MEN1 (0.45) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL9272255 0.65 PTGER1 (0.54) KMT2AMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL8885341 0.64 PTGER1 (0.68) KMT2AMEN1ALDH1A1CYP1A2CYP3A4

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
US-5354746-A Prostaglandin inhibitor, analgesics G. D. SEARLE & CO. (US) 1994-10-11 — — US claimed
US-5354746-A Prostaglandin inhibitor, analgesics G. D. SEARLE & CO. (US) 1994-10-11 — — US disclosed
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