SCHEMBL9737729

SCHEMBL9737729

CC(=O)OC/C(O)=C1\[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@]12C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
HIF1A Q16665 7/20 0.46
LMNA P02545 6/20 0.46
NR3C1 P04150 6/20 0.46
CYP3A4 P08684 4/20 0.46
CNR1 P21554 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2C9 P11712 1/20 0.46
TBXA2R P21731 1/20 0.46
PGR P06401 5/20 0.45
USP2 O75604 2/20 0.45
MAPT P10636 2/20 0.45
KCNH2 Q12809 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
AR P10275 1/20 0.43
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
CYP19A1 P11511 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
SCHEMBL9737739 1.00 KDM4E (0.50) KDM4EHIF1ALMNANR3C1CYP3A4
SCHEMBL9737736 1.00 KDM4E (0.50) KDM4EHIF1ALMNANR3C1CYP3A4
SCHEMBL9738019 0.88 KDM4E (0.57) KDM4EHIF1ALMNANR3C1CYP3A4
SCHEMBL9738025 0.88 KDM4E (0.57) KDM4EHIF1ALMNANR3C1CYP3A4
SCHEMBL9738022 0.88 KDM4E (0.57) KDM4EHIF1ALMNANR3C1CYP3A4
SCHEMBL9738151 0.84 ALDH1A1 (0.50) HIF1ALMNANR3C1CYP3A4SMN1; SMN2
SCHEMBL9738161 0.84 ALDH1A1 (0.50) HIF1ALMNANR3C1CYP3A4SMN1; SMN2
SCHEMBL9738157 0.84 ALDH1A1 (0.50) HIF1ALMNANR3C1CYP3A4SMN1; SMN2
SCHEMBL9737529 0.81 KDM4E (0.50) KDM4EHIF1ALMNANR3C1CYP3A4
SCHEMBL11325098 0.79 HIF1A (0.55) KDM4EHIF1ALMNANR3C1CYP3A4

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