SCHEMBL14559201

SCHEMBL14559201

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(C)(O)CO

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
CYP19A1 P11511 2/20 0.48
ALDH1A1 P00352 8/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
P2RX4 Q99571 1/20 0.40
TRPA1 O75762 2/20 0.39
TRPM8 Q7Z2W7 2/20 0.39

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
SCHEMBL5358744 1.00 EPHX1 (0.50) EPHX1CYP19A1ALDH1A1HPGDTSHR
SCHEMBL21623926 0.85 EPHX1 (0.55) EPHX1CYP19A1ALDH1A1HPGDTSHR
SCHEMBL20328573 0.84 EPHX1 (0.56) EPHX1CYP19A1ALDH1A1HPGDTSHR
SCHEMBL20719903 0.84 EPHX1 (0.56) EPHX1CYP19A1ALDH1A1HPGDTSHR
SCHEMBL10139341 0.84 EPHX1 (0.56) EPHX1CYP19A1ALDH1A1HPGDTSHR
SCHEMBL14822843 0.84 EPHX1 (0.56) EPHX1CYP19A1ALDH1A1HPGDTSHR
SCHEMBL19670085 0.84 EPHX1 (0.56) EPHX1CYP19A1ALDH1A1HPGDTSHR
SCHEMBL13253745 0.84 EPHX1 (0.56) EPHX1CYP19A1ALDH1A1HPGDTSHR
SCHEMBL10139342 0.84 EPHX1 (0.56) EPHX1CYP19A1ALDH1A1HPGDTSHR
SCHEMBL15135100 0.83 EPHX1 (0.50) EPHX1CYP19A1ALDH1A1HPGDTSHR

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-7186854-B2 Process for making bicalutamide and intermediates thereof SYNTHON IP INC. (US) 2007-03-06 US disclosed
US-7186854-B2 Process for making bicalutamide and intermediates thereof SYNTHON IP INC. (US) 2007-03-06 US disclosed