SCHEMBL11367294

SCHEMBL11367294

O=C(O)c1cccc(Cl)c1C(=O)O.[KH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.63
ALDH1A1 P00352 6/20 0.61
PBRM1 Q86U86 1/20 0.61
DPP4 P27487 1/20 0.48
ALOX15 P16050 1/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
AKR1C3 P42330 2/20 0.46
USP2 O75604 1/20 0.46
MT-CO2 P00403 1/20 0.46
TTR P02766 1/20 0.46
PLA2G1B P04054 1/20 0.46
CYP1A2 P05177 1/20 0.46
PGR P06401 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 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
SCHEMBL275485 0.98 TSHR (0.65) TSHRALDH1A1PBRM1DPP4ALOX15
SCHEMBL31356504 0.98 TSHR (0.65) TSHRALDH1A1PBRM1DPP4ALOX15
SCHEMBL7778738 0.96 TSHR (0.63) TSHRALDH1A1PBRM1DPP4ALOX15
SCHEMBL27672860 0.96 TSHR (0.63) TSHRALDH1A1PBRM1DPP4ALOX15
SCHEMBL28702990 0.96 TSHR (0.63) TSHRALDH1A1PBRM1DPP4ALOX15
Phthalic Acid SCHEMBL27858887 0.94 ALDH1A1 (0.65) TSHRALDH1A1PBRM1DPP4ALOX15
Ethylene SCHEMBL29012536 0.94 TSHR (0.61) TSHRALDH1A1PBRM1DPP4ALOX15
SCHEMBL20996701 0.90 TSHR (0.62) TSHRALDH1A1PBRM1DPP4ALOX15
SCHEMBL9725353 0.87 TSHR (0.57) TSHRALDH1A1PBRM1DPP4ALOX15
SCHEMBL28032590 0.84 ALDH1A1 (0.60) TSHRALDH1A1PBRM1ALOX15KMT2A

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
JP-56125458-A None JP disclosed
JP-55005945-A None JP disclosed
JP-S56125458-A PREPARATION OF LOWLY CHLORINATED COPPER PHTHALOCYANINE TOYO INK MFG CO LTD 1981-10-01 JP disclosed
JP-S555945-A PREPARATION OF LOW CHLORINATED COPPER PHTHALOCYANINE TOYO INK MFG CO LTD 1980-01-17 JP disclosed