SCHEMBL7702311

SCHEMBL7702311

CC1C[C@H]2C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 20/20 0.67
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SHBG P04278 1/20 0.46
▸ SERPINA6 P08185 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B3 P37058 1/20 0.46
▸ SNCA P37840 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 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
SCHEMBL12794297 0.89 CYP19A1 (0.52) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL12794303 0.89 CYP19A1 (0.52) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL6832273 0.86 CYP19A1 (0.65) CYP19A1ALDH1A1SHBGSERPINA6
SCHEMBL3658069 0.86 CYP19A1 (0.65) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL9130696 0.86 CYP19A1 (0.65) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL8209838 0.84 CYP19A1 (0.62) CYP19A1
SCHEMBL9948623 0.81 CYP19A1 (0.44) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL3660113 0.80 CYP19A1 (0.58) CYP19A1
SCHEMBL20088312 0.80 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL12413521 0.80 CYP19A1 (1.00) 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-1212345-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS Akzo Nobel N.V. (NL) 2002-06-12 — — EP disclosed
WO-2000059920-A2 ORALLY ACTIVE 7.ALPHA.-ALKYL ANDROGENS AKZO NOBEL N.V. (NL) 2000-10-12 — — WO disclosed
Send feedback