SCHEMBL9623699

SCHEMBL9623699

CC1C[C@@H]2[C@@H](C(O)C[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.69
CYP3A4 P08684 3/20 0.66
HIF1A Q16665 3/20 0.66
CYP2C9 P11712 2/20 0.66
NR3C1 P04150 2/20 0.66
LMNA P02545 2/20 0.66
PGR P06401 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
TSHR P16473 1/20 0.65
HSD17B10 Q99714 1/20 0.65
ALDH1A1 P00352 1/20 0.65
SHBG P04278 1/20 0.56
SERPINA6 P08185 1/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL9623695 1.00 CYP19A1 (0.69) CYP19A1CYP3A4HIF1ACYP2C9NR3C1
SCHEMBL9623927 1.00 CYP19A1 (0.69) CYP19A1CYP3A4HIF1ACYP2C9NR3C1
SCHEMBL10629833 0.90 CYP19A1 (0.59) CYP19A1CYP3A4HIF1ACYP2C9NR3C1
SCHEMBL9636751 0.90 CYP19A1 (0.72) CYP19A1CYP3A4HIF1ACYP2C9NR3C1
SCHEMBL9636759 0.90 CYP19A1 (0.72) CYP19A1CYP3A4HIF1ACYP2C9NR3C1
SCHEMBL10625656 0.88 CYP19A1 (0.69) CYP19A1CYP3A4HIF1ACYP2C9NR3C1
SCHEMBL10625663 0.88 CYP19A1 (0.69) CYP19A1CYP3A4HIF1ACYP2C9NR3C1
SCHEMBL9458673 0.84 CYP3A4 (0.59) CYP19A1CYP3A4HIF1ACYP2C9NR3C1
SCHEMBL9458679 0.84 CYP3A4 (0.59) CYP19A1CYP3A4HIF1ACYP2C9NR3C1
SCHEMBL9458675 0.84 CYP3A4 (0.59) CYP19A1CYP3A4HIF1ACYP2C9NR3C1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4749649-A Microbial Δ1-dehydrogenation process using a scavenger of toxic oxygen THE UPJOHN COMPANY (US) 1988-06-07 US claimed
EP-0127294-B1 STEROID DEHYDROGENATION THE UPJOHN COMPANY (US) 1986-12-17 EP claimed
EP-0268400-B1 STEROIDAL 17ALPHA-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGESTERONES THE UPJOHN COMPANY (US) 1992-04-29 EP disclosed
US-4977255-A Steroidal 17α-silyl ethers and process to corticoids and progesterones THE UPJOHN COMPANY (US) 1990-12-11 US disclosed
US-4921638-A 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one THE UPJOHN COMPANY (US) 1990-05-01 US disclosed
EP-0334875-A1 STEROIDAL 17$g(a)-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1989-10-04 EP 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
WO-1988003534-A1 STEROIDAL 17alpha-SILYL ETHERS AND PROCESS TO CORTICOIDS AND PROGGESTERONES THE UPJOHN COMPANY (US) 1988-05-19 WO 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