SCHEMBL9468394

SCHEMBL9468394

Cc1cccc(C(CC(=O)O)CC(=O)O)c1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSA P10619 11/20 0.43
GABBR2 O75899 1/20 0.42
GABBR1 Q9UBS5 1/20 0.42
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL658439 0.85 GABBR2 (0.48) CTSAGABBR2GABBR1POLBHTT
SCHEMBL30781885 0.85 GABBR2 (0.48) CTSAGABBR2GABBR1POLBHTT
SCHEMBL8126646 0.85 CYSLTR2 (0.45) CTSA
SCHEMBL4277846 0.84 CTSA (0.42) CTSACYP1A2MEN1CYP3A4CYP2C9
SCHEMBL4582311 0.84 FFAR1 (0.42) CTSACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL13720867 0.83 L3MBTL1 (0.60) POLBHTTNPSR1L3MBTL1MEN1
SCHEMBL10839956 0.82 CYP1A2 (0.50) CTSAPOLBL3MBTL1CYP1A2MEN1
SCHEMBL11432157 0.80 CTSA (0.47) CTSAPOLBHTTNPSR1L3MBTL1
SCHEMBL28599329 0.80 NLRP3 (0.48) HTTCYP3A4TSHRMAPT
SCHEMBL2794839 0.79 CTSA (0.49) CTSAGABBR2GABBR1

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-5262313-A Reaction of carrageen with esterase and hardening drops ANDCARE, INC. (US) 1993-11-16 US disclosed