SCHEMBL8209833

SCHEMBL8209833

CCC1CC(=O)C=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@@H]34)[C@H]21

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 19/20 0.59
▸ ALDH1A1 P00352 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ SHBG P04278 2/20 0.46
▸ SERPINA6 P08185 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B3 P37058 2/20 0.46
▸ SNCA P37840 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ PMP22 Q01453 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL6832271 0.84 CYP19A1 (0.63) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL7702309 0.84 CYP19A1 (0.63) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL3658066 0.84 CYP19A1 (0.63) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL8083229 0.84 CYP19A1 (0.63) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL9947825 0.82 CYP19A1 (0.42) CYP19A1ALDH1A1SHBGSERPINA6
SCHEMBL29496903 0.81 SHBG (0.61) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL7705294 0.81 SHBG (0.61) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL5552057 0.81 SHBG (0.61) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL9634417 0.80 CYP19A1 (0.58) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL9634694 0.80 CYP19A1 (0.58) CYP19A1ALDH1A1LMNASHBGSERPINA6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061928-A2 NEW CONTRACEPTIVE KIT Akzo Nobel N.V. (NL) 2000-12-27 — — EP disclosed
WO-1999045886-A2 NEW CONTRACEPTIVE KIT FOR MONOTHERAPY AKZO NOBEL N.V. (NL) 1999-09-16 — — WO disclosed
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