SCHEMBL9623701

SCHEMBL9623701

C[C@]12CCCCC1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.46
SHBG P04278 3/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
EPHA2 P29317 2/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
EFNA1 P20827 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL9623704 1.00 CYP19A1 (0.46) CYP19A1SHBGPOLBMAPK1EPHA2
SCHEMBL11520209 0.88 CYP19A1 (0.47) CYP19A1SHBGPOLBMAPK1EPHA2
SCHEMBL1331512 0.88 CYP19A1 (0.47) CYP19A1SHBGPOLBMAPK1EPHA2
SCHEMBL4980575 0.86 CYP19A1 (0.45) CYP19A1SHBGPOLBMAPK1EPHA2
SCHEMBL4980565 0.86 CYP19A1 (0.45) CYP19A1SHBGPOLBMAPK1EPHA2
SCHEMBL3710947 0.85 CYP19A1 (0.49) CYP19A1SHBGPOLBMAPK1EPHA2
SCHEMBL3708014 0.85 CYP19A1 (0.49) CYP19A1SHBGPOLBMAPK1EPHA2
SCHEMBL3363326 0.85 CYP19A1 (0.49) CYP19A1SHBGPOLBMAPK1EPHA2
SCHEMBL3363331 0.85 CYP19A1 (0.49) CYP19A1SHBGPOLBMAPK1EPHA2
SCHEMBL5447175 0.85 CYP19A1 (0.49) CYP19A1SHBGPOLBMAPK1EPHA2

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 6 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 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
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