SCHEMBL11264962

SCHEMBL11264962

Cc1ccccc1CCCC(=O)Cn1ccnc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
HMOX2 P30519 1/20 0.50
CYP19A1 P11511 1/20 0.45
TBXA2R P21731 2/20 0.44

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
SCHEMBL11262225 0.92 CYP11B1 (0.58) CYP11B1CYP11B2HMOX2CYP19A1
SCHEMBL11256237 0.86 TBXAS1 (0.43) CYP11B1CYP11B2HMOX2
SCHEMBL11262725 0.85 HMOX2 (0.50) HMOX2CYP19A1
SCHEMBL8804388 0.81 TBXAS1 (0.59) HMOX2
Hydrochloric Acid SCHEMBL9996084 0.80 TBXAS1 (0.61) HMOX2
SCHEMBL11260275 0.80 HMOX2 (0.53) CYP11B1CYP11B2HMOX2CYP19A1
SCHEMBL11247258 0.80 TBXAS1 (0.44) CYP11B1CYP11B2HMOX2CYP19A1
SCHEMBL11265758 0.80 CYP11B1 (0.56) CYP11B1CYP11B2
SCHEMBL8803506 0.79 TBXAS1 (0.56) CYP11B1CYP11B2CYP19A1
SCHEMBL22418800 0.77 TAAR1 (0.50)

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed