SCHEMBL9862151

SCHEMBL9862151

C=C(C)c1ccccc1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.54
AKR1B1 P15121 2/20 0.53
TDP1 Q9NUW8 1/20 0.47
PTGS2 P35354 4/20 0.42
CXCL8 P10145 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
PTGS1 P23219 3/20 0.40
CYP19A1 P11511 1/20 0.40
ABCB11 O95342 2/20 0.40
LMNA P02545 1/20 0.40
ADORA1 P30542 1/20 0.40
AKR1B10 O60218 1/20 0.39
UGT1A9 O60656 1/20 0.39
TRPA1 O75762 1/20 0.39
MT-CO2 P00403 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 1/20 0.39

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
SCHEMBL30059469 0.86 L3MBTL1 (0.46) BCAT2AKR1B1L3MBTL1MAPTLMNA
SCHEMBL3427031 0.86 L3MBTL1 (0.46) BCAT2AKR1B1L3MBTL1MAPTLMNA
SCHEMBL10269128 0.84 BCAT2 (0.58) BCAT2AKR1B1TDP1PTGS2CXCL8
SCHEMBL6555816 0.84 BCAT2 (0.62) BCAT2AKR1B1TDP1PTGS2CXCL8
SCHEMBL3618346 0.81 BCAT2 (0.54) BCAT2AKR1B1TDP1PTGS2CXCL8
SCHEMBL13689908 0.80 AKR1B1 (0.57) BCAT2AKR1B1TDP1PTGS2CXCL8
2-Carboxybenzeneacetic Acid SCHEMBL27477 0.79 AKR1B1 (0.61) BCAT2AKR1B1TDP1KDM4ECYP1A2
SCHEMBL721894 0.79 GABRA1 (0.44) MAPTLMNA
SCHEMBL29396009 0.79 GABRA1 (0.44) MAPTLMNA
2-Carboxybenzeneacetic Acid SCHEMBL1891118 0.79 AKR1B1 (0.61) BCAT2AKR1B1TDP1KDM4ECYP1A2

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
EP-0446469-A1 Flame retardant polyacrylnitrile-(Co)-polymers containing phosphorus - containing derivatives of phenols BAYER AG (DE) 1991-09-18 EP disclosed