SCHEMBL9255620

SCHEMBL9255620

C=COC(=O)c1ccc(CC=CC(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 11/20 0.34
PLA2G1B P04054 9/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL10900087 0.82 CYP3A4 (0.46) MEN1KMT2ATDP1CYP3A4L3MBTL1
SCHEMBL11366685 0.79 MAOB (0.46) TDP1ATG4BPLA2G1BALDH1A1
SCHEMBL8917566 0.78 ALDH1A1 (0.50) MEN1KMT2ATDP1L3MBTL1THRB
SCHEMBL8917564 0.78 ALDH1A1 (0.50) MEN1KMT2ATDP1L3MBTL1THRB
SCHEMBL295796 0.77 ALDH1A1 (0.40) MEN1KMT2ATDP1ALDH1A1
SCHEMBL759270 0.76 ALDH1A1 (0.53) MEN1KMT2ATDP1LOXL2THRA
Acetic Acid SCHEMBL27750533 0.76 ALDH1A1 (0.53) MEN1KMT2ATDP1LOXL2THRA
SCHEMBL28944014 0.75 ALDH1A1 (0.39) MEN1KMT2ATDP1ALDH1A1
SCHEMBL3433302 0.75 ALDH1A1 (0.41) MEN1KMT2ATDP1CYP3A4THRB
SCHEMBL27678556 0.75 ATG4B (0.38) KMT2ATDP1ATG4BPLA2G1BTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0477565-B1 Organic nonlinear optical material MITSUBISHI PETROCHEMICAL CO (JP) 1995-07-05 EP disclosed
US-5149580-A Polarized films, sheets MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-09-22 US disclosed
EP-0477565-A2 Organic nonlinear optical material MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-04-01 EP disclosed