SCHEMBL7257977

SCHEMBL7257977

CCCCC(CCCC(C)C(=O)O)C1c2ccc(O)cc2SCC1(C)c1ccc(O)cc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.34
NR1I2 O75469 1/20 0.34
CYP19A1 P11511 2/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 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
SCHEMBL7263350 0.96 ALOX5 (0.34) ALOX5NR1I2
SCHEMBL5855196 0.94 ALOX5 (0.34) ALOX5NR1I2
SCHEMBL5855042 0.88 CYP19A1 (0.33) CYP19A1OPRM1
SCHEMBL5854085 0.84 PTGER2 (0.33) CYP19A1OPRM1
SCHEMBL7257972 0.84 PTGER2 (0.35)
SCHEMBL5856053 0.82 HSD17B3 (0.33) CYP19A1OPRM1OPRK1
SCHEMBL7262817 0.81 ALOX5 (0.34) ALOX5NR1I2
SCHEMBL5858088 0.80 ALOX5 (0.33) ALOX5NR1I2
SCHEMBL7263372 0.80 ALOX5 (0.33) ALOX5NR1I2
SCHEMBL7262193 0.79 ESR1 (0.31)

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-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 US disclosed