SCHEMBL9623918

SCHEMBL9623918

C[C@]12CCC3(CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C#N)O[Si](C)(C)CBr)OCCO3

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
CYP17A1 P05093 3/20 0.36
SHBG P04278 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
CYP19A1 P11511 7/20 0.32
CYP3A4 P08684 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NR3C1 P04150 1/20 0.31
MAPK1 P28482 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31

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
SCHEMBL9624018 0.91 POLB (0.52) POLBMAPTCYP17A1SHBGSMN1; SMN2
SCHEMBL9623549 0.91 POLB (0.52) POLBMAPTCYP17A1SHBGSMN1; SMN2
SCHEMBL3750366 0.80 POLB (0.62) POLBMAPTCYP17A1SHBGSMN1; SMN2
SCHEMBL9624222 0.78 POLB (0.35) POLBMAPT
SCHEMBL9160890 0.78 POLB (0.60) POLBMAPTCYP17A1SHBGSMN1; SMN2
SCHEMBL9623709 0.77 ESR1 (0.37) CYP19A1
SCHEMBL3753955 0.76 POLB (0.55) POLBMAPTCYP17A1SHBGSMN1; SMN2
SCHEMBL12992189 0.75 POLB (0.67) POLBMAPTCYP17A1SHBGSMN1; SMN2
SCHEMBL2789952 0.75 POLB (0.67) POLBMAPTCYP17A1SHBGSMN1; SMN2
SCHEMBL15963152 0.75 POLB (0.67) POLBMAPTCYP17A1SHBGSMN1; SMN2

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 1 patent. 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