SCHEMBL3476071

SCHEMBL3476071

CCC(=O)OC1(C(=O)S)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
MAPT P10636 2/20 0.61
AR P10275 1/20 0.56
CYP19A1 P11511 10/20 0.53
CYP3A4 P08684 3/20 0.53
NR3C1 P04150 2/20 0.53
PGR P06401 2/20 0.53
USP2 O75604 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HIF1A Q16665 1/20 0.53
ABCC3 O15438 1/20 0.49
NR1I2 O75469 1/20 0.49
ABCB11 O95342 1/20 0.49
HPGD P15428 1/20 0.47

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
SCHEMBL4210066 1.00 LMNA (0.61) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL4218580 0.92 LMNA (0.59) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL4210068 0.90 LMNA (0.59) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL3476075 0.90 LMNA (0.59) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL11822457 0.90 LMNA (0.58) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL4220494 0.89 LMNA (0.57) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL11583875 0.89 LMNA (0.68) LMNAMAPTARCYP19A1CYP3A4
SCHEMBL28364035 0.87 LMNA (0.64) LMNAMAPTCYP19A1CYP3A4NR3C1
SCHEMBL11230269 0.86 NR3C1 (0.71) LMNAARCYP3A4NR3C1PGR
SCHEMBL11806510 0.83 LMNA (0.57) LMNAMAPTARCYP19A1CYP3A4

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
WO-2010132743-A1 CORTICOSTEROID BETA-AGONIST COMPOUNDS FOR USE IN THERAPY GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed