SCHEMBL10696892

SCHEMBL10696892

CCCCCCCCCCCCOc1ccc(C)c(C(=O)O)c1O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
PTPN11 Q06124 4/20 0.49
ESR1 P03372 2/20 0.49
S1PR3 Q99500 1/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
PLA2G4B P0C869 1/20 0.48
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
PLA2G2D Q9UNK4 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL23748658 0.86 ALDH1A1 (0.48) ALDH1A1HPGDPTPN11S1PR3TP53
SCHEMBL5589204 0.82 ALDH1A1 (0.50) ALDH1A1HPGDPTPN11S1PR3TP53
SCHEMBL5587072 0.82 ALDH1A1 (0.50) ALDH1A1HPGDPTPN11S1PR3TP53
SCHEMBL9502979 0.82 MEN1 (0.52) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL5589407 0.82 ALDH1A1 (0.50) ALDH1A1HPGDPTPN11S1PR3TP53
SCHEMBL9504277 0.82 MEN1 (0.52) ALDH1A1HPGDPTPN11TP53TSHR
SCHEMBL5589309 0.82 ALDH1A1 (0.50) ALDH1A1HPGDPTPN11S1PR3TP53
SCHEMBL5589827 0.82 ALDH1A1 (0.50) ALDH1A1HPGDPTPN11S1PR3TP53
SCHEMBL5587933 0.82 ALDH1A1 (0.50) ALDH1A1HPGDPTPN11S1PR3TP53
SCHEMBL23748674 0.80 PPARA (0.50) PTPN11TP53TSHRPLA2G4BPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0275203-A2 Heat-sensitive recording material containing color forming components FUJI PHOTO FILM CO., LTD. (JP) 1988-07-20 EP disclosed