SCHEMBL10697778

SCHEMBL10697778

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC(CCCl)[C@@H]12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 8/20 0.58
▸ SMN1; SMN2 Q16637 6/20 0.58
▸ HSD17B10 Q99714 6/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ SHBG P04278 5/20 0.58
▸ LMNA P02545 5/20 0.58
▸ MAPK1 P28482 4/20 0.58
▸ SERPINA6 P08185 4/20 0.58
▸ SNCA P37840 4/20 0.58
▸ TSHR P16473 4/20 0.58
▸ BLM P54132 3/20 0.58
▸ PMP22 Q01453 3/20 0.58
▸ NPSR1 Q6W5P4 3/20 0.58
▸ HSD17B3 P37058 2/20 0.58
▸ NR3C1 P04150 5/20 0.54
▸ PGR P06401 5/20 0.54
▸ ADRA1A P35348 1/20 0.54
▸ HTR2B P41595 1/20 0.54
▸ CYP3A4 P08684 4/20 0.52
▸ AR P10275 4/20 0.52

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
SCHEMBL10697774 1.00 CYP19A1 (0.58) CYP19A1SMN1; SMN2HSD17B10ALDH1A1SHBG
SCHEMBL10701831 0.89 HSD17B10 (0.58) CYP19A1SMN1; SMN2HSD17B10ALDH1A1SHBG
SCHEMBL10701827 0.89 HSD17B10 (0.58) CYP19A1SMN1; SMN2HSD17B10ALDH1A1SHBG
SCHEMBL10698869 0.87 CYP19A1 (0.62) CYP19A1SMN1; SMN2HSD17B10ALDH1A1SHBG
SCHEMBL7611976 0.87 CYP19A1 (0.62) CYP19A1SMN1; SMN2HSD17B10ALDH1A1SHBG
SCHEMBL7611967 0.87 CYP19A1 (0.62) CYP19A1SMN1; SMN2HSD17B10ALDH1A1SHBG
SCHEMBL10698335 0.86 HSD17B10 (0.60) CYP19A1SMN1; SMN2HSD17B10ALDH1A1SHBG
SCHEMBL10698341 0.86 HSD17B10 (0.60) CYP19A1SMN1; SMN2HSD17B10ALDH1A1SHBG
SCHEMBL13460140 0.83 LMNA (0.57) CYP19A1SMN1; SMN2HSD17B10ALDH1A1SHBG
SCHEMBL8646618 0.81 SMN1; SMN2 (0.66) CYP19A1SMN1; SMN2HSD17B10ALDH1A1SHBG

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-0286578-A1 4,15-Disubstituted 4-androsten-3,17-diones, and process for their preparation SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-12 — — EP disclosed
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