SCHEMBL9624042

SCHEMBL9624042

C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC[C@](O)(C#N)[C@@]3(C)C[C@@H]3O[C@@]312

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 7/20 0.41
HIF1A Q16665 7/20 0.41
PGR P06401 4/20 0.41
CYP3A4 P08684 4/20 0.41
POLB P06746 1/20 0.41
AR P10275 1/20 0.41
NR3C1 P04150 5/20 0.40
NR1I2 O75469 1/20 0.40
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.38
CYP2C9 P11712 2/20 0.38
NFKB1 P19838 1/20 0.38
CYP2J2 P51589 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL5943274 0.83 KDM4E (0.80) KDM4EALDH1A1MAPK1LMNAHIF1A
SCHEMBL5943277 0.83 KDM4E (0.80) KDM4EALDH1A1MAPK1LMNAHIF1A
SCHEMBL9624264 0.82 CYP3A4 (0.47) KDM4EALDH1A1MAPK1LMNAHIF1A
SCHEMBL9624036 0.82 ALDH1A1 (0.66) KDM4EALDH1A1MAPK1LMNAHIF1A
SCHEMBL9624037 0.82 ALDH1A1 (0.66) KDM4EALDH1A1MAPK1LMNAHIF1A
SCHEMBL3170744 0.80 KDM4E (1.00) KDM4EALDH1A1MAPK1LMNAHIF1A
SCHEMBL5259047 0.80 KDM4E (1.00) KDM4EALDH1A1MAPK1LMNAHIF1A
SCHEMBL6152790 0.80 KDM4E (0.76) KDM4EALDH1A1MAPK1LMNAHIF1A
SCHEMBL3170735 0.80 KDM4E (1.00) KDM4EALDH1A1MAPK1LMNAHIF1A
SCHEMBL3170728 0.80 KDM4E (1.00) KDM4EALDH1A1MAPK1LMNAHIF1A

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