SCHEMBL7175955

SCHEMBL7175955

C=CC(=O)OCCCCOc1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.61
▸ KMT2A Q03164 1/20 0.60
▸ NR4A2 P43354 5/20 0.52
▸ PLA2G4B P0C869 1/20 0.52
▸ NR1H4 Q96RI1 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ TBXAS1 P24557 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ AKR1C3 P42330 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL17034306 0.99 THRB (0.60) THRBKMT2ANR4A2PLA2G4BNR1H4
SCHEMBL17034286 0.91 THRB (0.65) THRBKMT2ANR4A2PLA2G4BNR1H4
SCHEMBL8928357 0.90 THRB (0.66) THRBKMT2APLA2G4BHTTALDH1A1
SCHEMBL17036930 0.87 THRB (0.56) THRBKMT2AALDH1A1CYP3A4TSHR
SCHEMBL17033934 0.87 THRB (0.62) THRBKMT2APLA2G4BHTTALDH1A1
SCHEMBL19456748 0.86 THRB (0.66) THRBKMT2AALDH1A1CYP3A4TSHR
SCHEMBL19456800 0.85 THRB (0.69) THRBKMT2APLA2G4BHTTALDH1A1
SCHEMBL1031149 0.85 THRB (0.84) THRBKMT2AHTTALDH1A1CYP3A4
SCHEMBL9803295 0.84 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4POLB
SCHEMBL23581948 0.84 THRB (0.64) THRBNR4A2ALDH1A1CYP3A4TSHR

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
EP-1174411-B1 Process for the preparation of aromatic carboxylic acid FUJI PHOTO FILM CO LTD (JP) 2003-10-08 — — EP disclosed
EP-1174411-A2 Process for the preparation of aromatic carboxylic acid FUJI PHOTO FILM CO., LTD. (JP) 2002-01-23 — — EP disclosed
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