SCHEMBL11373002

SCHEMBL11373002

CC(C)(CO)c1ccc(C(=O)CN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 2/20 0.42
▸ ALPG P10696 1/20 0.42
▸ MAPK14 Q16539 1/20 0.41
▸ OPRD1 P41143 6/20 0.41
▸ OPRK1 P41145 5/20 0.41
▸ OPRM1 P35372 4/20 0.41
▸ NSD2 O96028 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SETD7 Q8WTS6 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HTR7 P34969 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR2B P41595 1/20 0.37

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
SCHEMBL11384303 0.90 ALPL (0.44) ALPLALPGOPRD1OPRK1OPRM1
SCHEMBL11373711 0.88 OPRD1 (0.48) MAPK14OPRD1OPRK1OPRM1HTR7
SCHEMBL6449193 0.76 OPRM1 (0.41) MAPK14OPRD1OPRK1OPRM1GAA
SCHEMBL11369771 0.71 CYP2J2 (0.52) OPRD1OPRK1OPRM1HTR7DRD2
SCHEMBL11379114 0.71 OPRD1 (0.47) OPRD1OPRK1OPRM1SETD7HTR7
SCHEMBL4257154 0.70 SETD7 (0.56) OPRD1OPRK1OPRM1SETD7ALDH1A1
SCHEMBL10459085 0.68 ACHE (0.53) OPRD1OPRM1GAAALDH1A1KMT2A
SCHEMBL11036336 0.68 SETD7 (0.53) OPRD1OPRK1OPRM1SETD7ALDH1A1
Hydrochloric Acid SCHEMBL9365989 0.68 ACHE (0.52) OPRD1OPRM1GAAALDH1A1KMT2A
SCHEMBL6452534 0.67 SETD7 (0.41) OPRD1OPRM1GAASETD7ALDH1A1

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-4285958-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US disclosed
US-4254130-A ANTIALLERGENS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — US disclosed
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