SCHEMBL9522316

SCHEMBL9522316

C[C@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3CC/C(=C(/O)CO)[C@@]3(C)C[C@@H]3O[C@@]312

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
HIF1A Q16665 10/20 0.42
CYP3A4 P08684 7/20 0.42
LMNA P02545 6/20 0.42
NR3C1 P04150 5/20 0.42
PGR P06401 4/20 0.42
NR1I2 O75469 2/20 0.42
HSD17B10 Q99714 4/20 0.40
NFKB1 P19838 3/20 0.40
CYP2C9 P11712 2/20 0.40
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
CYP2J2 P51589 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ABCB11 O95342 2/20 0.40
AR P10275 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CHRM1 P11229 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9522320 1.00 KDM4E (0.60) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9522326 1.00 KDM4E (0.60) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9738019 0.84 KDM4E (0.57) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9738025 0.84 KDM4E (0.57) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9738022 0.84 KDM4E (0.57) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9623556 0.82 KDM4E (0.58) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9717206 0.79 KDM4E (0.60) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9717210 0.79 KDM4E (0.60) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9524808 0.77 KDM4E (0.47) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL3170735 0.75 KDM4E (1.00) KDM4EHIF1ACYP3A4LMNANR3C1

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-0474668-B1 CONVERSION OF DELTA 16-STEROID TO A DELTA 17(20)-20-SILYL ETHER THE UPJOHN COMPANY (US) 1993-08-25 EP claimed