SCHEMBL9822544

SCHEMBL9822544

COC(=O)C1=C(F)[C@@H]2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)CC[C@@H]34)[C@@]2(C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.47
GPBAR1 Q8TDU6 4/20 0.39
VDR P11473 3/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
PTPN1 P18031 1/20 0.37
NPC1L1 Q9UHC9 1/20 0.37
SRD5A1 P18405 2/20 0.36
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
EFNA1 P20827 1/20 0.35
EPHA2 P29317 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL9822547 1.00 SRD5A2 (0.47) SRD5A2GPBAR1VDRCYP2C9HIF1A
SCHEMBL9348135 0.85 SRD5A2 (0.41) SRD5A2GPBAR1VDRNPC1L1SRD5A1
SCHEMBL9348131 0.85 SRD5A2 (0.41) SRD5A2GPBAR1VDRNPC1L1SRD5A1
SCHEMBL9782678 0.85 SRD5A2 (0.55) SRD5A2GPBAR1VDRCYP2C9HIF1A
SCHEMBL9782681 0.85 SRD5A2 (0.55) SRD5A2GPBAR1VDRCYP2C9HIF1A
SCHEMBL9349226 0.84 SRD5A2 (0.39) SRD5A2GPBAR1VDRCYP2C9HIF1A
SCHEMBL9822617 0.83 SRD5A1 (0.39) SRD5A2GPBAR1VDRCYP2C9HIF1A
SCHEMBL9822624 0.83 SRD5A1 (0.39) SRD5A2GPBAR1VDRCYP2C9HIF1A
SCHEMBL9822553 0.81 SRD5A2 (0.59) SRD5A2GPBAR1VDRCYP2C9HIF1A
SCHEMBL9782796 0.81 SRD5A2 (0.59) SRD5A2GPBAR1VDRCYP2C9HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289327-B1 STEROID 5-ALPHA-REDUCTASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-12-18 EP disclosed
US-4910226-A Estrane compound SMITHKLINE BECKMAN CORPORATION (US) 1990-03-20 US disclosed
EP-0289327-A2 Steroid 5-alpha-reductase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-11-02 EP disclosed