SCHEMBL11490449

SCHEMBL11490449

CCCc1cccc([C@@H](O)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50
KAT6A Q92794 1/20 0.41
BLM P54132 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
PTGS2 P35354 1/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 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
SCHEMBL11439247 1.00 LMNA (0.50) LMNAMAPK1KAT6ABLMNPSR1
SCHEMBL11488242 0.90 LMNA (0.47) LMNAMAPK1CYSLTR2CYSLTR1PPARG
SCHEMBL11451021 0.90 LMNA (0.47) LMNAMAPK1CYSLTR2CYSLTR1PPARG
SCHEMBL2552459 0.86 LMNA (0.53) LMNAMAPK1BLMNPSR1TSHR
SCHEMBL2552458 0.86 LMNA (0.53) LMNAMAPK1BLMNPSR1TSHR
SCHEMBL2060445 0.83 PTGS2 (0.54) LMNAMAPK1BLMTSHRPTGS2
SCHEMBL19387547 0.82 LMNA (0.48) LMNAMAPK1BLMNPSR1TSHR
SCHEMBL27910194 0.80 CNR1 (0.42) LMNAPGK1PGK2
SCHEMBL9015267 0.80 LMNA (0.50) LMNAMAPK1BLMTSHRPTGS2
SCHEMBL11477890 0.79 LMNA (0.52) LMNAMAPK1PTGS2PPARGPPARA

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-4218380-A OXIDATION OF THE A-HYDROXY-ARYLACETIC ACID BAYER AKTIENGESELLSCHAFT (DE) 1980-08-19 US disclosed