SCHEMBL10660629

SCHEMBL10660629

COc1cc(N=C2SC(=CC(=O)O)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.48
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ S1PR1 P21453 3/20 0.38
▸ S1PR3 Q99500 3/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL10660623 1.00 FAAH (0.48) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10668343 0.76 FAAH (0.44) FAAHMEN1KMT2AMAPTALDH1A1
SCHEMBL10662765 0.76 FAAH (0.51) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10668048 0.72 FAAH (0.56) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10666221 0.71 FAAH (0.52) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10666213 0.71 FAAH (0.52) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10660826 0.70 ALDH1A1 (0.54) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10662771 0.69 FAAH (0.54) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL10668970 0.68 AURKA (0.46) FAAHMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL31310360 0.67 FAAH (0.65) FAAHMEN1KMT2AMAPTSMN1; SMN2

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-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US claimed
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US disclosed
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