SCHEMBL8918329

SCHEMBL8918329

CCCCCCCC(I)CCOc1ccc(C)cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 5/20 0.52
S1PR3 Q99500 1/20 0.52
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
PLK1 P53350 5/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADRA2A P08913 1/20 0.40
MAPT P10636 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40

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
SCHEMBL9500879 0.86 PTPN11 (0.67) PTPN11S1PR3PTPN1PTPN6PLK1
SCHEMBL5325696 0.86 PTPN11 (0.67) PTPN11S1PR3PTPN1PTPN6PLK1
SCHEMBL11771803 0.85 PTPN11 (0.65) PTPN11S1PR3PTPN1PTPN6PLK1
SCHEMBL11775746 0.85 PTPN11 (0.64) PTPN11S1PR3PTPN1PTPN6PLK1
SCHEMBL11774385 0.83 PTPN11 (0.58) PTPN11S1PR3PTPN1PTPN6PLK1
SCHEMBL11078865 0.79 PTPN11 (0.52) PTPN11S1PR3PTPN1PTPN6PLK1
SCHEMBL26724900 0.77 TSHR (0.47) PTPN11S1PR3KDM4EALDH1A1LMNA
SCHEMBL5854283 0.74 MAPT (0.67) PTPN11S1PR3PTPN1PTPN6PLK1
Zinc Ion SCHEMBL11771793 0.74 S1PR3 (0.54) PTPN11S1PR3PTPN1PTPN6PLK1
SCHEMBL5908089 0.74 TDP1 (0.42) PTPN11S1PR3KDM4EALDH1A1LMNA

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
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