SCHEMBL8025172

SCHEMBL8025172

CC1[C@H]2[C@@H]3[C@@H]4C[C@@H]4[C@@]4(CCC(=O)O4)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C2[C@@H]1C

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 12/20 0.79
AR P10275 11/20 0.79
NR3C1 P04150 3/20 0.79
LMNA P02545 2/20 0.79
CHRM2 P08172 2/20 0.79
ABCC4 O15439 1/20 0.79
ABCB11 O95342 1/20 0.79
HTR2A P28223 1/20 0.79
HTR2B P41595 1/20 0.79
CYP19A1 P11511 6/20 0.49
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
OPRK1 P41145 1/20 0.41

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
SCHEMBL14668731 1.00 PGR (0.79) PGRARNR3C1LMNACHRM2
SCHEMBL14256379 1.00 PGR (0.79) PGRARNR3C1LMNACHRM2
SCHEMBL18220876 1.00 PGR (0.79) PGRARNR3C1LMNACHRM2
SCHEMBL16329005 1.00 PGR (0.79) PGRARNR3C1LMNACHRM2
SCHEMBL22171518 0.90 PGR (0.76) PGRARNR3C1LMNACHRM2
SCHEMBL19067844 0.90 PGR (0.76) PGRARNR3C1LMNACHRM2
SCHEMBL22382732 0.90 PGR (0.76) PGRARNR3C1LMNACHRM2
SCHEMBL11029288 0.89 PGR (0.71) PGRARNR3C1LMNACHRM2
SCHEMBL11026949 0.89 PGR (0.71) PGRARNR3C1LMNACHRM2
SCHEMBL14267085 0.89 PGR (0.62) PGRARNR3C1LMNACHRM2

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
WO-2010039560-A2 ACTIVE AGENT LOADED UNIFORM, RIGID, SPHERICAL, NANOPOROUS CALCIUM PHOSPHATE PARTICLES AND METHODS OF MAKING AND USING THE SAME LABORATORY SKIN CARE, INC. (US) 2010-04-08 WO disclosed
WO-2009097995-A1 NOVEL PHENYL-SUBSTITUTED IMIDAZOLIDINES, METHOD FOR THE PRODUCTION THEREOF, MEDICAMENTS CONTAINING SAID COMPOUNDS AND USE THEREOF SANOFI-AVENTIS (FR) 2009-08-13 WO disclosed