SCHEMBL10697075

SCHEMBL10697075

CSc1ccc(C2C[C@H]3C(=CC2=O)CC[C@@H]2[C@@H]3CC[C@]3(C)CCC[C@@H]23)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 7/20 0.38
▸ STS P08842 2/20 0.36
▸ SHBG P04278 2/20 0.35
▸ SERPINA6 P08185 2/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ LMNA P02545 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HIF1A Q16665 1/20 0.32

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
SCHEMBL10449145 0.89 CYP19A1 (0.39) CYP19A1STSSHBGSERPINA6SLC22A1
SCHEMBL8538439 0.83 CYP19A1 (0.35) CYP19A1STSSHBGSERPINA6SLC22A1
SCHEMBL8542953 0.81 PGR (0.42) CYP19A1
SCHEMBL9948623 0.78 CYP19A1 (0.44) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL6301569 0.77 CYP19A1 (0.44) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL4945163 0.77 SHBG (0.48) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL3356889 0.77 CYP19A1 (0.44) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL9947828 0.76 CYP19A1 (0.42) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL9948721 0.75 CYP19A1 (0.41) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1
SCHEMBL8370954 0.75 CYP19A1 (0.41) CYP19A1SHBGSERPINA6SLC22A1ALDH1A1

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
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