SCHEMBL10698341

SCHEMBL10698341

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 9/20 0.60
▸ SMN1; SMN2 Q16637 9/20 0.60
▸ SHBG P04278 8/20 0.60
▸ LMNA P02545 7/20 0.60
▸ ALDH1A1 P00352 7/20 0.60
▸ SERPINA6 P08185 6/20 0.60
▸ CYP19A1 P11511 5/20 0.60
▸ MAPK1 P28482 5/20 0.60
▸ TSHR P16473 5/20 0.60
▸ SNCA P37840 4/20 0.60
▸ BLM P54132 4/20 0.60
▸ PMP22 Q01453 4/20 0.60
▸ NPSR1 Q6W5P4 3/20 0.60
▸ HSD17B3 P37058 2/20 0.60
▸ NR3C1 P04150 5/20 0.56
▸ PGR P06401 5/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ OR51E2 Q9H255 2/20 0.56
▸ CYP3A4 P08684 6/20 0.55

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
SCHEMBL10698335 1.00 HSD17B10 (0.60) HSD17B10SMN1; SMN2SHBGLMNAALDH1A1
SCHEMBL10701831 0.91 HSD17B10 (0.58) HSD17B10SMN1; SMN2SHBGLMNAALDH1A1
SCHEMBL10701827 0.91 HSD17B10 (0.58) HSD17B10SMN1; SMN2SHBGLMNAALDH1A1
SCHEMBL10698869 0.89 CYP19A1 (0.62) HSD17B10SMN1; SMN2SHBGLMNAALDH1A1
SCHEMBL7611976 0.89 CYP19A1 (0.62) HSD17B10SMN1; SMN2SHBGLMNAALDH1A1
SCHEMBL7611967 0.89 CYP19A1 (0.62) HSD17B10SMN1; SMN2SHBGLMNAALDH1A1
SCHEMBL13460140 0.88 LMNA (0.57) HSD17B10SMN1; SMN2SHBGLMNAALDH1A1
SCHEMBL10697778 0.86 CYP19A1 (0.58) HSD17B10SMN1; SMN2SHBGLMNAALDH1A1
SCHEMBL10697774 0.86 CYP19A1 (0.58) HSD17B10SMN1; SMN2SHBGLMNAALDH1A1
SCHEMBL10701290 0.85 ALDH1A1 (0.57) HSD17B10SMN1; SMN2SHBGLMNAALDH1A1

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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