SCHEMBL11376047

SCHEMBL11376047

CCOC(=O)C(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 13/20 0.58
▸ CYP3A4 P08684 2/20 0.54
▸ CYP2C9 P11712 2/20 0.54
▸ CYP2B6 P20813 2/20 0.54
▸ LMNA P02545 2/20 0.49
▸ HRH1 P35367 2/20 0.49
▸ DRD3 P35462 2/20 0.49
▸ CNR1 P21554 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ PDE3A Q14432 1/20 0.49
▸ DRD2 P14416 1/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49

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
SCHEMBL11377421 0.89 CYP2J2 (0.64) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL11364979 0.87 CYP2J2 (0.73) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL48803 0.87 CYP2J2 (0.75) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
Hydrochloric Acid SCHEMBL11369280 0.86 CYP2J2 (0.71) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
Hydrochloric Acid SCHEMBL2235075 0.86 CYP2J2 (0.74) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL11372307 0.85 CYP2J2 (0.63) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL11369936 0.84 HRH1 (0.60) CYP2J2CYP3A4LMNAHRH1DRD3
SCHEMBL11379129 0.81 CYP2J2 (0.63) CYP2J2CYP3A4LMNAHRH1DRD3
SCHEMBL11371018 0.79 CYP2J2 (0.55) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL5999820 0.79 HRH1 (0.79) CYP2J2CYP3A4LMNAHRH1DRD3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4254130-A ANTIALLERGENS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — US claimed
US-4285957-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US disclosed
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
US-4254129-A ANTIALLERGENS, BRONCHODILATORS, ANTIHISTAMINES; 4-DIPHENYLMETHYL PIPERIDINO-ALKANOLS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — US disclosed
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