SCHEMBL9738022

SCHEMBL9738022

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]2(C)C1=C(O)CO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
HIF1A Q16665 10/20 0.42
CYP3A4 P08684 8/20 0.42
LMNA P02545 6/20 0.42
NR3C1 P04150 6/20 0.42
PGR P06401 5/20 0.42
NR1I2 O75469 2/20 0.42
AR P10275 3/20 0.41
ABCB11 O95342 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CHRM1 P11229 1/20 0.41
NFKB1 P19838 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TSHR P16473 2/20 0.41
PMP22 Q01453 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
BLM P54132 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9738025 1.00 KDM4E (0.57) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9738019 1.00 KDM4E (0.57) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9737736 0.88 KDM4E (0.50) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9737739 0.88 KDM4E (0.50) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9737729 0.88 KDM4E (0.50) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9522320 0.84 KDM4E (0.60) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9522316 0.84 KDM4E (0.60) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9522326 0.84 KDM4E (0.60) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9737529 0.84 KDM4E (0.50) KDM4EHIF1ACYP3A4LMNANR3C1
SCHEMBL9736760 0.82 ALDH1A1 (0.57) 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-0278319-B1 9,11-EPOXY-21-HYDROXYPREGNANE DERIVATIVES THE UPJOHN COMPANY (US) 1992-10-07 EP claimed