SCHEMBL11684609

SCHEMBL11684609

C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3[C@H]4C[C@H]4[C@](O)(C(=O)CO)[C@@]3(C)CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 8/20 0.69
▸ SHBG P04278 7/20 0.69
▸ SMN1; SMN2 Q16637 7/20 0.69
▸ SERPINA6 P08185 6/20 0.69
▸ HIF1A Q16665 5/20 0.69
▸ CYP2C19 P33261 5/20 0.69
▸ LMNA P02545 5/20 0.69
▸ CYP3A4 P08684 4/20 0.69
▸ TSHR P16473 3/20 0.69
▸ BLM P54132 2/20 0.69
▸ PMP22 Q01453 2/20 0.69
▸ NR3C1 P04150 6/20 0.61
▸ PGR P06401 3/20 0.61
▸ MAPT P10636 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ NR3C2 P08235 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.59
▸ ADRA1A P35348 1/20 0.59
▸ HTR2B P41595 1/20 0.59

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
SCHEMBL9128191 0.86 SHBG (0.68) HSD17B10SHBGSMN1; SMN2SERPINA6HIF1A
SCHEMBL11688675 0.85 HIF1A (0.71) HSD17B10SHBGSMN1; SMN2SERPINA6HIF1A
SCHEMBL11686670 0.85 HIF1A (0.71) HSD17B10SHBGSMN1; SMN2SERPINA6HIF1A
SCHEMBL9862493 0.84 HSD17B10 (0.71) HSD17B10SHBGSMN1; SMN2SERPINA6HIF1A
SCHEMBL9862485 0.84 HSD17B10 (0.71) HSD17B10SHBGSMN1; SMN2SERPINA6HIF1A
Cortodoxone SCHEMBL24900239 0.82 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2SERPINA6HIF1A
Cortodoxone SCHEMBL42590 0.82 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2SERPINA6HIF1A
Cortodoxone SCHEMBL14360590 0.82 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2SERPINA6HIF1A
Cortodoxone SCHEMBL13768127 0.82 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2SERPINA6HIF1A
Cortodoxone SCHEMBL17906542 0.82 HSD17B10 (1.00) HSD17B10SHBGSMN1; SMN2SERPINA6HIF1A

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
US-4012510-A Novel methylene steroids SCHERING AKTIENGESELLSCHAFT (DT) 1977-03-15 — — US disclosed
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