SCHEMBL15326183

SCHEMBL15326183

C[C@]12CCC3c4ccc(OSN)cc4CCC3C1CCC2=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.76
LMNA P02545 2/20 0.76
MAPT P10636 2/20 0.76
RECQL P46063 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
STS P08842 11/20 0.74
CA1 P00915 3/20 0.74
CA2 P00918 3/20 0.74
CA9 Q16790 3/20 0.74
ESR1 P03372 2/20 0.74
ESR2 Q92731 2/20 0.74
CA4 P22748 1/20 0.74
CA6 P23280 1/20 0.74
KDM4E B2RXH2 2/20 0.70
ABCC4 O15439 1/20 0.70
CYP2C9 P11712 1/20 0.70
ABCC1 P33527 1/20 0.70
SLCO1B1 Q9Y6L6 1/20 0.70
CYP3A4 P08684 3/20 0.67
AKR1B10 O60218 1/20 0.67

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
SCHEMBL20689748 1.00 HSD17B1 (0.76) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL22475387 0.89 HSD17B1 (0.76) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL13413314 0.88 HSD17B1 (0.81) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL11649226 0.88 HSD17B1 (0.81) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL10116722 0.88 LMNA (0.70) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL6684274 0.88 HSD17B1 (0.84) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL18658723 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL4570835 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL959954 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2
SCHEMBL15308964 0.86 HSD17B1 (1.00) HSD17B1LMNAMAPTRECQLSMN1; SMN2

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-2484351-B1 Use of steroid sulfatase inhibitors for the treatment of preterm labor PREGLEM SA (CH) 2016-02-24 EP disclosed
WO-2013150469-A1 COMBINED USE OF A STEROID SULFATASE INHIBITOR FOR THE TREATMENT OF ENDOMETRIOSIS PREGLEM SA (CH) 2013-10-10 WO disclosed