SCHEMBL7234258

SCHEMBL7234258

C=CCOC(=O)N1C[C@@H](SC(=O)OC(C)(C)C)C[C@H]1CN(Cc1cccc2ccccc12)C(=O)CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
NR1D1 P20393 1/20 0.31
ACHE P22303 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
KMT2A Q03164 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 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
SCHEMBL7231891 0.87 CYP19A1 (0.34) CYP19A1
SCHEMBL7234235 0.86 CYP3A4 (0.35) CYP19A1ACHE
SCHEMBL7231866 0.81 CYP19A1 (0.35) CYP19A1NR1D1
SCHEMBL8550129 0.81 CYP19A1 (0.35) CYP19A1NR1D1
SCHEMBL7234703 0.79 MTNR1A (0.37) CYP19A1ACHE
SCHEMBL7235416 0.77 CYP19A1 (0.38) CYP19A1NR1D1ACHEKMT2A
SCHEMBL7232863 0.76 CTSS (0.34) FNTAFNTBNR1D1METAP2METAP1
SCHEMBL7852448 0.74 ECE1 (0.37) CYP19A1FNTAFNTBKMT2A
SCHEMBL8547281 0.74 KEAP1 (0.32) CYP19A1KMT2A
SCHEMBL9132721 0.72 CYP19A1 (0.31) CYP19A1

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-6541491-B1 Treating ras mediated diseases, especially cancer. ZENECA LIMITED (GB) 2003-04-01 US disclosed
US-6232338-B1 4-Mercaptopyrrolidine derivatives as farnesyl transferase inhibitors ZENECA LIMITED (GB) 2001-05-15 US disclosed