SCHEMBL8984053

SCHEMBL8984053

Cc1cc(CCCCCCCCCCCCC(C)C)cc(C(=O)O)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.58
CXCL12 P48061 1/20 0.58
KAT8 Q9H7Z6 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
FUT7 Q11130 1/20 0.41
PPARA Q07869 2/20 0.40
RARB P10826 1/20 0.40
BCL2L1 Q07817 2/20 0.38
MCL1 Q07820 2/20 0.38
AKR1C2 P52895 2/20 0.36
AKR1C1 Q04828 2/20 0.36
PTPN1 P18031 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL8916840 1.00 HMGB1 (0.58) HMGB1CXCL12KAT8GRIN2DGRIN2A
SCHEMBL8914882 1.00 HMGB1 (0.58) HMGB1CXCL12KAT8GRIN2DGRIN2A
SCHEMBL9248029 0.88 HMGB1 (0.65) HMGB1CXCL12GRIN2DGRIN2AGRIN2B
SCHEMBL14760846 0.87 PPARA (0.51) HMGB1CXCL12KAT8GRIN2DGRIN2A
Zinc Ion SCHEMBL9501673 0.86 FUT7 (0.42) HMGB1CXCL12KAT8GRIN2DGRIN2A
Zinc Ion SCHEMBL9500832 0.86 FUT7 (0.42) HMGB1CXCL12KAT8GRIN2DGRIN2A
SCHEMBL3776599 0.86 KAT8 (0.43) HMGB1CXCL12KAT8GRIN2DGRIN2A
SCHEMBL3782487 0.86 KAT8 (0.43) HMGB1CXCL12KAT8GRIN2DGRIN2A
SCHEMBL15524845 0.85 PPARA (0.49) HMGB1CXCL12KAT8GRIN2DGRIN2A
SCHEMBL38655021 0.85 FUT7 (0.45) GRIN2DGRIN2AGRIN2BGRIN2CFUT7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714785-A1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-06-05 EP disclosed
US-5328884-A Salicylic acid salt,and amide or sulfonamide as developer KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1994-07-12 US disclosed
US-5250108-A Mixture of salicylic acid salt, amide and sulfonamide compounds KANZAKI PAPER MANUFACTURING CO. LTD. (JP) 1993-10-05 US disclosed