SCHEMBL19164751

SCHEMBL19164751

CC(C)c1cc(C(C)C)c(C(=O)O)c(C(C)C)c1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.63
FABP4 P15090 1/20 0.63
LDHA P00338 7/20 0.47
LDHB P07195 6/20 0.47
ALB P02768 3/20 0.43
ACE2 Q9BYF1 2/20 0.37
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
EIF4A3 P38919 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
GAA P10253 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
ABCC1 P33527 1/20 0.33

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
SCHEMBL27726424 0.88 FABP3 (0.55) FABP3FABP4LDHALDHBALB
SCHEMBL31586352 0.80 LDHA (0.47) FABP3FABP4LDHALDHBALB
SCHEMBL22418970 0.80 LDHA (0.47) FABP3FABP4LDHALDHBALB
SCHEMBL10591692 0.79 FABP3 (0.50) FABP3FABP4LDHALDHBALB
SCHEMBL19610481 0.79 FABP3 (0.72) FABP3FABP4LDHALDHBALB
SCHEMBL17323561 0.78 MEN1 (0.55) FABP3FABP4LDHALDHBALB
SCHEMBL28199965 0.77 LDHA (0.56) FABP3FABP4LDHALDHBALB
SCHEMBL22418973 0.77 LDHA (0.47) FABP3FABP4LDHALDHBALB
SCHEMBL810177 0.77 FABP3 (1.00) FABP3FABP4LDHALDHBALB
SCHEMBL4115159 0.77 FABP3 (0.57) FABP3FABP4LDHALDHBALB

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
US-20170210836-A1 POLYMER COMPOUND, NEGATIVE RESIST COMPOSITION, LAMINATE, PATTERNING PROCESS, AND COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-07-27 US disclosed
US-20170210836-A1 POLYMER COMPOUND, NEGATIVE RESIST COMPOSITION, LAMINATE, PATTERNING PROCESS, AND COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-07-27 US disclosed