SCHEMBL8550129

SCHEMBL8550129

C=CCOC(=O)N1CC(SC(=O)OC(C)(C)C)CC1CN(C)c1cccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
NR1D1 P20393 1/20 0.31
ELANE P08246 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL7231866 1.00 CYP19A1 (0.35) CYP19A1NR1D1ELANEALDH1A1HPGD
SCHEMBL7231891 0.87 CYP19A1 (0.34) CYP19A1ALDH1A1
SCHEMBL7235416 0.83 CYP19A1 (0.38) CYP19A1NR1D1ELANEALDH1A1HPGD
SCHEMBL7234258 0.81 CYP19A1 (0.35) CYP19A1NR1D1
SCHEMBL7234703 0.80 MTNR1A (0.37) CYP19A1
SCHEMBL8547281 0.79 KEAP1 (0.32) CYP19A1
SCHEMBL7234235 0.77 CYP3A4 (0.35) CYP19A1ALDH1A1
SCHEMBL7239236 0.76 NR1H2 (0.35) CYP19A1SIGMAR1
SCHEMBL9132239 0.76 NR1H2 (0.35) CYP19A1SIGMAR1
SCHEMBL9132827 0.76 NPSR1 (0.43) CYP19A1ELANEALDH1A1HPGDSIGMAR1

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
EP-0842151-A1 4-MERCAPTOPYRROLIDINE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS ZENECA LIMITED (GB) 1998-05-20 EP disclosed