SCHEMBL9717259

SCHEMBL9717259

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
LMNA P02545 6/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HIF1A Q16665 7/20 0.36
CYP3A4 P08684 5/20 0.36
NR3C1 P04150 4/20 0.36
PGR P06401 3/20 0.36
NR1I2 O75469 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 3/20 0.34
CYP2C9 P11712 2/20 0.34
NFKB1 P19838 1/20 0.34
CYP2J2 P51589 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCB11 O95342 2/20 0.34
AR P10275 1/20 0.34
CHRM1 P11229 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL9717206 0.84 KDM4E (0.60) KDM4ELMNASMN1; SMN2HIF1ACYP3A4
SCHEMBL9717210 0.84 KDM4E (0.60) KDM4ELMNASMN1; SMN2HIF1ACYP3A4
SCHEMBL9738807 0.83 ALDH1A1 (0.51) KDM4EHIF1ACYP3A4NR3C1PGR
SCHEMBL9688260 0.83 LMNA (0.55) LMNASMN1; SMN2HIF1ACYP3A4NR3C1
SCHEMBL9688255 0.83 LMNA (0.55) LMNASMN1; SMN2HIF1ACYP3A4NR3C1
SCHEMBL21091789 0.82 LMNA (0.54) KDM4ELMNASMN1; SMN2HIF1ACYP3A4
SCHEMBL9737529 0.80 KDM4E (0.50) KDM4ELMNASMN1; SMN2HIF1ACYP3A4
SCHEMBL19762243 0.80 LMNA (0.69) KDM4ELMNASMN1; SMN2HIF1ACYP3A4
SCHEMBL9521233 0.80 LMNA (0.69) KDM4ELMNASMN1; SMN2HIF1ACYP3A4
SCHEMBL20821236 0.80 LMNA (0.55) KDM4ELMNASMN1; SMN2HIF1ACYP3A4

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 2 patents. 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
EP-0308412-B1 16$g(a)-METHYLATION PROCESS THE UPJOHN COMPANY (US) 1992-03-18 EP claimed