SCHEMBL8915510

SCHEMBL8915510

CC(C)CCCCCCc1cc(C(=O)O)c(O)c(C(C)(C)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.39
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
PPARA Q07869 1/20 0.36
PTPN1 P18031 4/20 0.35
PTPN2 P17706 2/20 0.35
PTPN6 P29350 2/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
FUT7 Q11130 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LTB4R Q15722 2/20 0.34
STAT3 P40763 1/20 0.34
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
TRPA1 O75762 1/20 0.33
HPGD P15428 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
SCHEMBL9650102 0.87 KAT8 (0.53) KAT8PPARASTAT3AKR1C2AKR1C1
SCHEMBL9652690 0.87 KAT8 (0.53) KAT8PPARASTAT3AKR1C2AKR1C1
SCHEMBL5885588 0.86 GAA (0.42) KAT8GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9502942 0.82 KAT8 (0.41) KAT8GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL9652592 0.82 MCL1 (0.42) KAT8PPARAPTPN1PTPN2PTPN6
SCHEMBL8915129 0.81 PTPN1 (0.36) PTPN1PTPN2PTPN6MCL1ALDH1A1
SCHEMBL9504235 0.80 GAA (0.44) KAT8GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL11284915 0.80 PTPN1 (0.54) PTPN1PTPN2PTPN6ALDH1A1HPGD
SCHEMBL11556141 0.79 PTPN1 (0.52) PTPN1PTPN2PTPN6ALDH1A1HPGD
SCHEMBL9252477 0.79 PTPN1 (0.42) PTPN1PTPN2PTPN6MCL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5647896-A MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
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