SCHEMBL9874107

SCHEMBL9874107

COc1ccc(C(O)(c2ccc(OC)cc2)C2CCN(CCCCCC(=O)N(C)C)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2J2 P51589 4/20 0.62
HRH1 P35367 3/20 0.48
NPY2R P49146 1/20 0.47
PAX8 Q06710 1/20 0.47
KCNH2 Q12809 2/20 0.47
KMT2A Q03164 1/20 0.46

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
SCHEMBL9873597 0.99 CYP2J2 (0.63) CYP2J2HRH1NPY2RPAX8KCNH2
SCHEMBL9873120 0.96 CYP2J2 (0.67) CYP2J2HRH1NPY2RPAX8KCNH2
SCHEMBL9871725 0.88 CYP2J2 (0.60) CYP2J2HRH1KCNH2
SCHEMBL9873298 0.87 CYP2J2 (0.50) CYP2J2HRH1KCNH2
SCHEMBL9873499 0.87 CYP2J2 (0.50) CYP2J2HRH1KCNH2
SCHEMBL9873383 0.87 CYP2J2 (0.61) CYP2J2HRH1KCNH2
SCHEMBL9874390 0.87 CYP2J2 (0.61) CYP2J2HRH1KCNH2
SCHEMBL9873146 0.86 CYP2J2 (0.61) CYP2J2HRH1NPY2RPAX8KCNH2
SCHEMBL9873646 0.86 CYP2J2 (0.61) CYP2J2HRH1NPY2RPAX8KCNH2
SCHEMBL9874544 0.86 CYP2J2 (0.51) CYP2J2HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5057524-A Asthma, dermatitis A. H. ROBINS COMPANY INCORPORATED (US) 1991-10-15 US disclosed