SCHEMBL9509801

SCHEMBL9509801

CCC1(C)CC(C)(C)C2=C1CC(C)C(=O)C2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL10759837 0.68
SCHEMBL5390986 0.67 MAPT (0.30)
SCHEMBL9418417 0.67 CA1 (0.31)
SCHEMBL10761498 0.62 TSHR (0.30) TSHRNPSR1
SCHEMBL10759127 0.61
SCHEMBL10072118 0.61 TSHR (0.38) TSHRNPSR1
SCHEMBL9512711 0.59
SCHEMBL20713955 0.59
SCHEMBL14491172 0.58 TSHR (0.54) TSHRNPSR1
SCHEMBL13551165 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0444586-B1 Bicyclic polysubstituted ketone GIVAUDAN ROURE INT (CH) 1993-10-27 EP disclosed
US-5164365-A Perfumes GIVAUDAN CORPORATION (US) 1992-11-17 US disclosed
EP-0444586-A1 Bicyclic polysubstituted ketone GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1991-09-04 EP disclosed