SCHEMBL6447233

SCHEMBL6447233

CC(=O)c1ccccc1Cc1cccc(C(=O)O)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 2/20 0.54
PTPN1 P18031 4/20 0.49
PTPN2 P17706 2/20 0.49
PTPN6 P29350 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CXCL12 P48061 1/20 0.46
TSHR P16473 1/20 0.46
HNF4A P41235 1/20 0.46
CYP2C9 P11712 2/20 0.46
HIF1A Q16665 1/20 0.46
ALB P02768 1/20 0.44
MMP2 P08253 1/20 0.44
CLCN2 P51788 1/20 0.43
CYP3A4 P08684 1/20 0.42
KMT2A Q03164 1/20 0.42
FOLH1 Q04609 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL1560171 0.93 HMGB1 (0.57) HMGB1PTPN1PTPN2PTPN6ALDH1A1
SCHEMBL2473330 0.92 HMGB1 (0.56) HMGB1PTPN1PTPN2PTPN6ALDH1A1
SCHEMBL15959651 0.88 TSHR (0.58) HMGB1PTPN1ALDH1A1KDM4EHPGD
SCHEMBL29697016 0.88 HMGB1 (0.67) HMGB1PTPN1PTPN2PTPN6ALDH1A1
SCHEMBL633197 0.88 HMGB1 (0.67) HMGB1PTPN1PTPN2PTPN6ALDH1A1
SCHEMBL8579457 0.84 LMNA (0.46) ALDH1A1KDM4EHPGDTSHRCYP2C9
SCHEMBL1396288 0.83 HPGD (0.62) HMGB1PTPN1PTPN2PTPN6ALDH1A1
SCHEMBL1161183 0.83 HMGB1 (0.57) HMGB1PTPN1PTPN2PTPN6ALDH1A1
SCHEMBL2467709 0.81 HMGB1 (0.56) HMGB1PTPN1PTPN2PTPN6ALDH1A1
SCHEMBL112902 0.81 PTPN1 (0.65) HMGB1PTPN1PTPN2PTPN6ALDH1A1

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
EP-1238961-B1 Process for the preparation of benzyl esters of hydroxybenzoic acids BAYER CHEMICALS AG (DE) 2005-01-26 EP disclosed
EP-1238961-A1 Process for the preparation of benzyl esters of hydroxybenzoic acids Bayer Aktiengesellschaft (DE) 2002-09-11 EP disclosed