SCHEMBL7736120

SCHEMBL7736120

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 19/20 1.00
▸ ALDH1A1 P00352 2/20 0.67
▸ LMNA P02545 2/20 0.67
▸ SHBG P04278 2/20 0.67
▸ SERPINA6 P08185 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ HSD17B3 P37058 2/20 0.67
▸ SNCA P37840 2/20 0.67
▸ BLM P54132 2/20 0.67
▸ PMP22 Q01453 2/20 0.67
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ NPSR1 Q6W5P4 2/20 0.67
▸ HSD17B10 Q99714 2/20 0.67
▸ TSHR P16473 1/20 0.67

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
SCHEMBL8209314 1.00 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL7736116 1.00 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL247069 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL13499082 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL17184306 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL9127403 0.86 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL3486959 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL10936176 0.86 CYP19A1 (1.00) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL9127394 0.86 CYP19A1 (0.76) CYP19A1ALDH1A1LMNASHBGSERPINA6
SCHEMBL4636604 0.86 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413951-B2 ENZYME INHIBITOR AVENTIS PHARMACEUTICALS, INC. 2002-07-02 — — US disclosed
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