SCHEMBL9623688

SCHEMBL9623688

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.68
HSD17B10 Q99714 5/20 0.68
HIF1A Q16665 4/20 0.68
PGR P06401 4/20 0.68
NR3C1 P04150 4/20 0.68
ABCB11 O95342 3/20 0.68
ALDH1A1 P00352 2/20 0.68
ABCC4 O15439 1/20 0.68
NR1I2 O75469 1/20 0.68
PDE4D Q08499 1/20 0.68
AR P10275 3/20 0.63
F2 P00734 1/20 0.63
CYP19A1 P11511 5/20 0.50
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
TNF P01375 1/20 0.46
IL6 P05231 1/20 0.46
SERPINA6 P08185 1/20 0.46
NR3C2 P08235 1/20 0.46
GLUL P15104 1/20 0.46

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
SCHEMBL11271565 0.83 HIF1A (0.81) CYP3A4HSD17B10HIF1APGRNR3C1
SCHEMBL3397741 0.83 HIF1A (0.81) CYP3A4HSD17B10HIF1APGRNR3C1
SCHEMBL3406702 0.83 CYP3A4 (0.81) CYP3A4HSD17B10HIF1APGRNR3C1
SCHEMBL3397738 0.83 HIF1A (0.81) CYP3A4HSD17B10HIF1APGRNR3C1
SCHEMBL3406698 0.83 CYP3A4 (0.81) CYP3A4HSD17B10HIF1APGRNR3C1
SCHEMBL13069748 0.83 HIF1A (0.81) CYP3A4HSD17B10HIF1APGRNR3C1
SCHEMBL9623866 0.82 NR3C1 (0.67) CYP3A4HSD17B10HIF1APGRNR3C1
Methylprednisolone SCHEMBL22163761 0.82 HIF1A (0.98) CYP3A4HSD17B10HIF1APGRNR3C1
SCHEMBL11691394 0.82 CYP3A4 (0.78) CYP3A4HSD17B10HIF1APGRNR3C1
SCHEMBL11691405 0.82 CYP3A4 (0.78) CYP3A4HSD17B10HIF1APGRNR3C1

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 8 patents. 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
US-4548748-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-10-22 US claimed
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP disclosed
US-4831131-A 11β,17α-Dihydroxy-17β-cyano-androstanes THE UPJOHN COMPANY (US) 1989-05-16 US disclosed
US-4585590-A Cyanohydrin process THE UPJOHN COMPANY (US) 1986-04-29 US disclosed
US-4548748-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-10-22 US disclosed
EP-0153001-A2 Steroids having an enamide or enimide group and their preparation THE UPJOHN COMPANY (US) 1985-08-28 EP disclosed
US-4500461-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-02-19 US disclosed