SCHEMBL11371018

SCHEMBL11371018

CC(C)(CO)c1ccc(C(=O)CCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 9/20 0.55
▸ LMNA P02545 3/20 0.50
▸ HRH1 P35367 3/20 0.50
▸ DRD3 P35462 3/20 0.50
▸ KCNH2 Q12809 3/20 0.50
▸ HTR2A P28223 2/20 0.50
▸ HTR2B P41595 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ CNR1 P21554 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ PDE4A P27815 1/20 0.50
▸ PDE3A Q14432 1/20 0.50
▸ DRD2 P14416 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ CYP3A4 P08684 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ CACNA1F O60840 1/20 0.48
▸ GMNN O75496 1/20 0.48

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
SCHEMBL11372307 0.94 CYP2J2 (0.63) CYP2J2LMNAHRH1DRD3KCNH2
SCHEMBL11379129 0.91 CYP2J2 (0.63) CYP2J2LMNAHRH1DRD3KCNH2
SCHEMBL11364979 0.85 CYP2J2 (0.73) CYP2J2LMNAHRH1DRD3KCNH2
Hydrochloric Acid SCHEMBL11369280 0.84 CYP2J2 (0.71) CYP2J2LMNAHRH1DRD3KCNH2
SCHEMBL11377421 0.83 CYP2J2 (0.64) CYP2J2LMNAHRH1DRD3KCNH2
SCHEMBL11376047 0.79 CYP2J2 (0.58) CYP2J2LMNAHRH1DRD3KCNH2
SCHEMBL3737586 0.79 CYP2J2 (0.82) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL17023754 0.77 CYP2J2 (0.87) CYP2J2CYP3A4CYP2C9CYP2B6
SCHEMBL11393150 0.76 CYP2J2 (0.68) CYP2J2HRH1KCNH2CYP3A4CYP2C9
SCHEMBL11379114 0.74 OPRD1 (0.47) CYP2J2LMNAHRH1DRD3KCNH2

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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