SCHEMBL27747427

SCHEMBL27747427

CCCOCc1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.45
KMT2A Q03164 3/20 0.44
PLA2G4B P0C869 2/20 0.42
MRGPRX4 Q96LA9 2/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.38
RARB P10826 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL3312463 0.83 MRGPRX4 (0.60) KMT2APLA2G4BMRGPRX4TP53PKM
SCHEMBL12215161 0.83 PLA2G2A (0.59) PLA2G2APLA2G4BTP53ALDH1A1RARB
SCHEMBL1749934 0.81 ALDH1A1 (0.57) PLA2G4BTP53SMN1; SMN2ALDH1A1RARB
SCHEMBL10141525 0.79 PLA2G2A (0.55) PLA2G2APLA2G4BTP53ALDH1A1RARB
Benzoic Acid SCHEMBL4541255 0.79 NR4A2 (0.53) KMT2APLA2G4BMRGPRX4SMN1; SMN2MEN1
SCHEMBL18506598 0.79 CA12 (0.43) KMT2AMRGPRX4TP53PKMSMN1; SMN2
SCHEMBL19323300 0.78 PLA2G2A (0.54) PLA2G2APLA2G4BTP53ALDH1A1RARB
SCHEMBL17395798 0.76 BRD4 (0.50) KMT2AMRGPRX4TP53PKMNFKB1
SCHEMBL9699535 0.75 PPARA (0.43) TP53CA12CA1CA2CA7
Butane SCHEMBL27893070 0.75 TPMT (0.55) PLA2G2AKMT2ATP53PKMSMN1; SMN2

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
CN-101346437-B Trisazo compound, ink composition, recording method and colored matter NIPPON KAYAKU KK 2012-01-11 CN disclosed
CN-101346437-A Trisazo compound, ink composition, recording method and colored matter NIPPON KAYAKU KK (JP) 2009-01-14 CN disclosed