SCHEMBL10697240

SCHEMBL10697240

COc1ccc(C[C@@]23CCC[C@H]2[C@@H]2CCc4cc(O)ccc4[C@H]2CC3)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
STS P08842 11/20 0.67
SHBG P04278 1/20 0.57
HSD17B1 P14061 2/20 0.52
ESR1 P03372 3/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL2163618 0.82 SHBG (0.68) STSSHBGHSD17B1ESR1LMNA
SCHEMBL3974914 0.77 STS (0.65) STSSHBGHSD17B1ESR1LMNA
SCHEMBL11861023 0.76 LMNA (0.55) STSSHBGHSD17B1ESR1LMNA
SCHEMBL14364736 0.76 STS (0.61) STSSHBGHSD17B1ESR1LMNA
SCHEMBL5525154 0.76 STS (0.61) STSSHBGHSD17B1ESR1LMNA
SCHEMBL9242677 0.75 SHBG (0.58) STSSHBGHSD17B1ESR1LMNA
SCHEMBL8424316 0.74 STS (0.89) STSESR1LMNA
SCHEMBL712443 0.73 SHBG (1.00) STSSHBGHSD17B1ESR1LMNA
SCHEMBL29643366 0.73 SHBG (1.00) STSSHBGHSD17B1ESR1LMNA
SCHEMBL172746 0.73 SHBG (1.00) STSSHBGHSD17B1ESR1LMNA

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-0280618-A1 19-Nor steroids substituted at position 7, their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1988-08-31 EP disclosed