SCHEMBL19611140

SCHEMBL19611140

CCCC(O)c1c(C(=O)O)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.34
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 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
SCHEMBL2377415 0.89 ALDH1A1 (0.40) ALDH1A1ALOX15CYP1A2KDM4EPOLB
SCHEMBL11616577 0.89 ALDH1A1 (0.34) ALDH1A1ALOX15CYP1A2KDM4EPOLB
SCHEMBL3098114 0.89 ALDH1A1 (0.34) ALDH1A1ALOX15CYP1A2KDM4EPOLB
SCHEMBL5320187 0.86 LMNA (0.39) ALDH1A1ALOX15CYP1A2KDM4EPOLB
SCHEMBL2680061 0.77 SLC37A4 (0.43) ALDH1A1ALOX15KDM4EPOLBTAAR1
SCHEMBL8933848 0.76 ALDH1A1 (0.46) ALDH1A1PPARASLC37A4
SCHEMBL9743402 0.76 ACE2 (0.38) ALDH1A1CYP1A2KDM4EPOLBMEN1
SCHEMBL3079818 0.75 KDM5B (0.37) ALDH1A1CYP1A2KDM4EPOLBTAAR1
SCHEMBL3837935 0.74 SLC37A4 (0.42) ALDH1A1KDM4EMEN1KMT2AGABRP
SCHEMBL6444436 0.74 KDM4E (0.40) ALDH1A1CYP1A2KDM4EPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847257-B1 Solid preparation comprising enteric solid dispersion SHINETSU CHEMICAL CO (JP) 2017-11-22 EP claimed