SCHEMBL7500349

SCHEMBL7500349

CC(C)C1C(C)CCCC1OCC(=O)O

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 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
SCHEMBL8103731 0.85 P2RX4 (0.31)
SCHEMBL14521096 0.84 CYP19A1 (0.36) CYP19A1
SCHEMBL11044791 0.84
SCHEMBL6744618 0.80 CYP19A1 (0.40) CYP19A1
SCHEMBL12868789 0.79 P2RX4 (0.35)
SCHEMBL583416 0.76 ALDH1A1 (0.31)
SCHEMBL14456046 0.76
SCHEMBL2321336 0.75
SCHEMBL4771757 0.75 EPHX1 (0.33) CYP19A1
SCHEMBL1536314 0.75 EPHX1 (0.33) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158982-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
US-6376496-B1 TREATMENT OF CANCER MERCK & CO., INC. 2002-04-23 US disclosed
EP-1158982-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 EP disclosed
WO-2000052134-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed