SCHEMBL6059540

SCHEMBL6059540

O=C(O)C(C(=O)O)C(O)(C(=O)O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.37
CPT2 P23786 1/20 0.33
ACLY P53396 1/20 0.33
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
ABCB11 O95342 1/20 0.30
F2 P00734 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2C19 P33261 1/20 0.30
DUSP3 P51452 1/20 0.30

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
SCHEMBL11419549 0.83 ALDH1A1 (0.36) ALDH1A1TSHRTP53
SCHEMBL19209928 0.74 MEN1 (0.37) TSHRMEN1KMT2A
SCHEMBL7049992 0.73 ALDH1A1 (0.37) ALDH1A1TSHRCPT2ACLYTP53
SCHEMBL721349 0.71 CPT2 (0.48) ALDH1A1TSHRCPT2ACLYTP53
SCHEMBL471886 0.69 ALDH1A1 (0.33) ALDH1A1TSHRTP53LMNATHRB
SCHEMBL8114552 0.69 ALDH1A1 (0.47) ALDH1A1TSHRCPT2ACLYTP53
SCHEMBL1830209 0.67 TSHR (0.47) ALDH1A1TSHRCPT2ACLYTP53
SCHEMBL10455605 0.67 ALDH1A1 (0.44) ALDH1A1TSHRTP53LMNATHRB
SCHEMBL7081678 0.67 ALDH1A1 (0.44) ALDH1A1TSHRTP53CYP2C19
SCHEMBL6754636 0.65 CPT2 (0.43) ALDH1A1TSHRCPT2ACLY

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-4371635-A MOLDING MATERIALS; FLEXIBILITY; HARDNESS; TENSILE STRENGTH PHILLIPS PETROLEUM COMPANY (US) 1983-02-01 US claimed
WO-2006089418-A2 TRIOSE-PHOSPHATE ISOMERASE MUTANTS OF RHIZOBIAL BACTERIA UNIVERSITY OF MANITOBA (CA) 2006-08-31 WO disclosed