SCHEMBL8084528

SCHEMBL8084528

CC(C)c1cc(C(C)C)c2c(c1)C(C)CC(=O)O2

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
RECQL P46063 1/20 0.36
FABP3 P05413 2/20 0.34
FABP4 P15090 2/20 0.34
FABP5 Q01469 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
HMGCR P04035 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
SCHEMBL28940452 0.80 MAPT (0.47) MAPTCRHBPCRHR2RECQLGABRA1
SCHEMBL7778990 0.76 FABP3 (0.37) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL8080973 0.75 ALDH1A1 (0.40) MAPTCRHBPCRHR2RECQL
SCHEMBL7787098 0.71 FABP3 (0.38) MAPTFABP3FABP4FABP5GABRA1
SCHEMBL14449429 0.68 SIRT2 (0.38) MAPTCRHBPCRHR2RECQL
SCHEMBL26521878 0.65 PARP1 (0.38) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL19823426 0.65 FABP3 (0.39) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL6058729 0.64 ACHE (0.43) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL10531335 0.64 GABRA1 (0.34) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL6058439 0.64 ACHE (0.40) FABP3FABP4FABP5GABRA1GABRB2

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
EP-1036792-A1 Novel fragrance compound QUEST INTERNATIONAL B.V. (NL) 2000-09-20 EP disclosed