SCHEMBL9624264

SCHEMBL9624264

C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C#N)[C@@]3(C)C[C@@H]3O[C@@]32[C@@]2(C)C=CC(=O)C=C12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.47
HIF1A Q16665 5/20 0.47
PGR P06401 4/20 0.47
NR3C1 P04150 4/20 0.47
LMNA P02545 3/20 0.47
NR1I2 O75469 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ABCC4 O15439 1/20 0.36
ABCB11 O95342 1/20 0.36
PDE4D Q08499 1/20 0.36
CYP19A1 P11511 5/20 0.36
MAPK1 P28482 2/20 0.34
AR P10275 2/20 0.34
F2 P00734 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL11271558 0.83 HIF1A (0.67) CYP3A4HIF1APGRNR3C1LMNA
SCHEMBL3397721 0.83 HIF1A (0.67) CYP3A4HIF1APGRNR3C1LMNA
SCHEMBL13069736 0.83 HIF1A (0.67) CYP3A4HIF1APGRNR3C1LMNA
SCHEMBL9624042 0.82 KDM4E (0.67) CYP3A4HIF1APGRNR3C1LMNA
SCHEMBL9623243 0.81 ALDH1A1 (0.48) CYP3A4HIF1APGRNR3C1LMNA
SCHEMBL9623240 0.81 ALDH1A1 (0.48) CYP3A4HIF1APGRNR3C1LMNA
SCHEMBL9623066 0.80 CYP3A4 (0.41) CYP3A4HIF1APGRNR3C1LMNA
SCHEMBL11272815 0.79 CYP3A4 (0.49) CYP3A4HIF1APGRNR3C1LMNA
SCHEMBL9623688 0.72 CYP3A4 (0.68) CYP3A4HIF1APGRNR3C1NR1I2
SCHEMBL10627552 0.72 NR3C1 (0.47) CYP3A4HIF1APGRNR3C1LMNA

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