SCHEMBL9864216

SCHEMBL9864216

CC(=O)C(CC(=O)O)c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSA P10619 16/20 0.45
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
ACP3 P15309 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL10525325 0.87 CYP1A2 (0.57) CTSACYP1A2TSHRKDM4E
SCHEMBL2794839 0.81 CTSA (0.49) CTSAACP3
SCHEMBL30781885 0.79 GABBR2 (0.48) CTSAACP3
SCHEMBL658439 0.79 GABBR2 (0.48) CTSAACP3
SCHEMBL29098342 0.79 SLC6A2 (0.40) CYP1A2ACP3
SCHEMBL6577823 0.79 ESR1 (0.38) CTSAACP3
SCHEMBL27607400 0.79 CYP1A2 (0.44) CTSACYP1A2TSHRACP3KDM4E
SCHEMBL2320843 0.78 CTSA (0.47) CTSAACP3
SCHEMBL5720952 0.78 CTSA (0.47) CTSAACP3
SCHEMBL6841260 0.78 FFAR1 (0.49) CTSAACP3

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-0405427-A2 Aromatic compounds, process for their preparation and their use as perfuming ingredients FIRMENICH SA (CH) 1991-01-02 EP disclosed