SCHEMBL4757726

SCHEMBL4757726

CCc1c(C=O)cc(C(=O)O)c(O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.40
CXCL12 P48061 1/20 0.40
ERN1 O75460 3/20 0.39
ALDH1A1 P00352 4/20 0.37
POLB P06746 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 3/20 0.35
KDM4E B2RXH2 2/20 0.35
UBE2N P61088 1/20 0.35
SRC P12931 1/20 0.34
PTPN1 P18031 3/20 0.33
CASP3 P42574 2/20 0.33
HPGD P15428 2/20 0.33
NSD2 O96028 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 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
SCHEMBL4757882 0.81 ERN1 (0.45) HMGB1CXCL12ERN1ALDH1A1POLB
SCHEMBL4755647 0.81 HCAR2 (0.38) HMGB1CXCL12ERN1ALDH1A1POLB
SCHEMBL4755047 0.80 MAPT (0.43) HMGB1CXCL12ERN1TDP1MAPT
SCHEMBL28661953 0.73 HMGB1 (0.41) HMGB1CXCL12ALDH1A1POLBTDP1
SCHEMBL28739771 0.73 ERN1 (0.48) ERN1MAPTCYP3A4SRC
SCHEMBL7050926 0.73 HMGB1 (0.49) HMGB1CXCL12ALDH1A1TDP1MAPT
SCHEMBL18677494 0.72 HMGB1 (0.47) HMGB1CXCL12ALDH1A1TDP1HSD17B10
SCHEMBL28675093 0.72 HMGB1 (0.47) HMGB1CXCL12ALDH1A1TDP1MAPT
SCHEMBL12488947 0.71 GABRP (0.41) HMGB1CXCL12ERN1ALDH1A1POLB
SCHEMBL4756893 0.71 TDP1 (0.46) HMGB1CXCL12ERN1ALDH1A1POLB

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-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed