SCHEMBL29919590

SCHEMBL29919590

CCc1cccc(O)c1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 7/20 0.67
MCL1 Q07820 7/20 0.67
BCL2L1 Q07817 6/20 0.67
BAK1 Q16611 6/20 0.67
KAT8 Q9H7Z6 3/20 0.67
EP300 Q09472 2/20 0.67
KAT5 Q92993 2/20 0.67
SAE1 Q9UBE0 2/20 0.67
PPARG P37231 1/20 0.67
PPARA Q07869 1/20 0.67
KAT2A Q92830 1/20 0.67
KAT2B Q92831 1/20 0.67
CA12 O43570 2/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA7 P43166 2/20 0.64
CA9 Q16790 2/20 0.64
CA14 Q9ULX7 2/20 0.64
F7 P08709 3/20 0.56
F3 P13726 3/20 0.56

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
SCHEMBL3954149 1.00 BID (0.67) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL423306 0.87 GABRA1 (0.54) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL2129140 0.86 BID (0.76) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9308264 0.85 CA12 (0.67) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL16949828 0.85 GABRA1 (0.54) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL4959472 0.83 BID (0.88) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL11571511 0.83 CA12 (0.64) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL10275110 0.83 THRB (0.68) BIDMCL1BCL2L1BAK1KAT8
Nitrogen SCHEMBL10979876 0.83 GABRA1 (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL300853 0.82 BID (0.97) BIDMCL1BCL2L1BAK1KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022221338-A2 SYSTEMS, MICROORGANISMS, OR METHODS FOR WASTE PET VALORIZATION WASHINGTON UNIVERSITY (US) 2022-10-20 WO claimed
WO-2022221338-A2 SYSTEMS, MICROORGANISMS, OR METHODS FOR WASTE PET VALORIZATION WASHINGTON UNIVERSITY (US) 2022-10-20 WO disclosed