SCHEMBL8940232

SCHEMBL8940232

C[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@@]2(C)[C@H]1CC[C@]2(O)C#N

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 6/20 0.60
CYP19A1 P11511 8/20 0.59
AR P10275 4/20 0.54
PGR P06401 4/20 0.54
NR3C2 P08235 1/20 0.54
SHBG P04278 3/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
ESR1 P03372 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP17A1 P05093 1/20 0.41
ALDH1A1 P00352 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 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
SCHEMBL9623805 1.00 NR3C1 (0.60) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL10413728 0.90 NR3C1 (0.58) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL10629758 0.89 NR3C1 (0.60) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL10781341 0.89 NR3C1 (0.60) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL29534861 0.85 NR3C1 (0.66) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL10390166 0.85 NR3C1 (0.66) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9623872 0.84 NR3C1 (0.45) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9624281 0.83 NR3C1 (0.43) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL17775786 0.83 CYP19A1 (0.68) NR3C1CYP19A1ARPGRNR3C2
SCHEMBL9622893 0.83 NR3C1 (0.41) NR3C1CYP19A1ARPGRNR3C2

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 21 patents — showing the first 20. 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
JP-57062300-A None JP disclosed
JP-57062296-A None JP disclosed
JP-6056882-A None JP disclosed
US-5565588-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing said steroids ROUSSEL UCLAF (FR) 1996-10-15 US disclosed
US-5352809-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing such steroids GIST-BROCADES N.V. (NL) 1994-10-04 US disclosed
JP-H0656882-A NEW PREPARATION OF DELTA9(11)-STEROID COMPOUND ROUSSEL UCLAF 1994-03-01 JP disclosed
EP-0263569-B1 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. ROUSSEL-UCLAF (FR) 1992-12-09 EP disclosed
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP disclosed
EP-0153001-B1 STEROIDS HAVING AN ENAMIDE OR ENIMIDE GROUP AND THEIR PREPARATION THE UPJOHN COMPANY (US) 1992-03-11 EP disclosed
US-4921638-A 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one THE UPJOHN COMPANY (US) 1990-05-01 US disclosed
US-4831131-A 11β,17α-Dihydroxy-17β-cyano-androstanes THE UPJOHN COMPANY (US) 1989-05-16 US disclosed
EP-0268400-A1 Steroidal 17alpha-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1988-05-25 EP disclosed
EP-0263569-A2 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. ROUSSEL-UCLAF (FR) 1988-04-13 EP 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
JP-S5762296-A PREPARATION OF 17ALPHA-HYDROXYPROGESTERONE DERIVATIVE MITSUBISHI CHEM IND LTD 1982-04-15 JP disclosed
JP-S5762300-A 17ALPHA-CYANOSTEROID MITSUBISHI CHEM IND LTD 1982-04-15 JP disclosed