SCHEMBL9624281

SCHEMBL9624281

C[C@H]1C[C@@H]2C(=CC[C@@]3(C)[C@H]2CC[C@]3(O)C#N)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.43
AR P10275 4/20 0.43
PGR P06401 3/20 0.43
NR3C2 P08235 2/20 0.43
CYP19A1 P11511 8/20 0.41
LMNA P02545 3/20 0.40
HIF1A Q16665 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
SHBG P04278 2/20 0.40
SERPINA6 P08185 1/20 0.38
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36

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
SCHEMBL10413684 0.90 NR3C1 (0.45) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL9623653 0.89 NR3C1 (0.42) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL9623805 0.83 NR3C1 (0.60) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL8940232 0.83 NR3C1 (0.60) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL13069733 0.82 NR3C1 (0.58) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL3393411 0.82 NR3C1 (0.58) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL11703932 0.80 NR3C1 (0.50) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL11702404 0.80 NR3C1 (0.57) NR3C1ARPGRCYP19A1LMNA
SCHEMBL9623817 0.80 NR3C1 (0.42) NR3C1ARPGRNR3C2CYP19A1
SCHEMBL11703940 0.80 NR3C1 (0.50) NR3C1ARPGRNR3C2CYP19A1

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
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP claimed