SCHEMBL10699409

SCHEMBL10699409

CCC=CC1CC(=O)[C@@]2(C)CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.58
▸ HSD17B10 Q99714 6/20 0.58
▸ SHBG P04278 6/20 0.58
▸ LMNA P02545 6/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ CYP19A1 P11511 5/20 0.58
▸ TSHR P16473 5/20 0.58
▸ MAPK1 P28482 4/20 0.58
▸ SERPINA6 P08185 4/20 0.58
▸ SNCA P37840 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 6/20 0.55
▸ PGR P06401 6/20 0.55
▸ AR P10275 5/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ NR1I2 O75469 2/20 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
SCHEMBL10699399 1.00 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10SHBGLMNAALDH1A1
SCHEMBL10699404 1.00 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10SHBGLMNAALDH1A1
SCHEMBL10698869 0.85 CYP19A1 (0.62) SMN1; SMN2HSD17B10SHBGLMNAALDH1A1
SCHEMBL10698865 0.85 CYP19A1 (0.62) SMN1; SMN2HSD17B10SHBGLMNAALDH1A1
SCHEMBL7611967 0.85 CYP19A1 (0.62) SMN1; SMN2HSD17B10SHBGLMNAALDH1A1
SCHEMBL7611976 0.85 CYP19A1 (0.62) SMN1; SMN2HSD17B10SHBGLMNAALDH1A1
SCHEMBL10698874 0.85 CYP19A1 (0.62) SMN1; SMN2HSD17B10SHBGLMNAALDH1A1
SCHEMBL8646615 0.81 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10SHBGLMNAALDH1A1
SCHEMBL10698509 0.81 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10SHBGLMNAALDH1A1
SCHEMBL8646618 0.81 SMN1; SMN2 (0.66) SMN1; SMN2HSD17B10SHBGLMNAALDH1A1

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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