SCHEMBL9504420

SCHEMBL9504420

COc1cccc(CC(=O)C(=O)O)c1.Cc1ccc(CC(=O)C(=O)O)cc1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.57
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RIOK2 Q9BVS4 1/20 0.49
CYP1A2 P05177 1/20 0.48
USP2 O75604 1/20 0.46
PTGS1 P23219 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL6670971 0.90 CTBP2 (0.68) CTBP2MEN1KMT2ACYP1A2USP2
SCHEMBL10534540 0.83 ALDH1A1 (0.50) MEN1KMT2ARIOK2CYP1A2ALDH1A1
SCHEMBL229067 0.77 PTGS1 (0.67) CTBP2MEN1KMT2ACYP1A2USP2
SCHEMBL29824310 0.77 PTGS1 (0.67) CTBP2MEN1KMT2ACYP1A2USP2
SCHEMBL7638956 0.76 CTBP2 (0.57) CTBP2MEN1KMT2ACYP1A2USP2
SCHEMBL8218798 0.76 CTBP2 (0.60) CTBP2MEN1KMT2ACYP1A2USP2
SCHEMBL8218805 0.76 CTBP2 (0.65) CTBP2MEN1KMT2ACYP1A2USP2
Hydrochloric Acid SCHEMBL8693464 0.76 CTBP2 (0.65) CTBP2MEN1KMT2ACYP1A2USP2
SCHEMBL7640178 0.75 CTBP2 (0.54) CTBP2MEN1KMT2ACYP1A2ALDH1A1
SCHEMBL4071390 0.75 CTBP2 (0.64) CTBP2MEN1KMT2ACYP1A2USP2

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-0206460-B1 L-PHENYLALANINE DEHYDROGENASE AND USE THEREOF SAGAMI CHEMICAL RESEARCH CENTER (JP) 1993-08-11 EP disclosed
EP-0513872-A1 L-phenylalanine dehydrogenase and use thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-11-19 EP disclosed