SCHEMBL16319105

SCHEMBL16319105

O=C(O)Oc1ccc(Oc2ccccc2OC(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 3/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
SRD5A2 P31213 1/20 0.44
ELANE P08246 1/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
PARP10 Q53GL7 2/20 0.42
TSPO P30536 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL571709 0.92 CTNNB1 (0.55) CTNNB1ALDH1A1HTTL3MBTL1MAPK1
SCHEMBL16319433 0.85 HTT (0.48) CTNNB1ALDH1A1HTTGAAKMT2A
Butane SCHEMBL6289475 0.83 CTNNB1 (0.51) CTNNB1ALDH1A1HTTL3MBTL1GAA
SCHEMBL4619100 0.83 KMT2A (0.46) CTNNB1ALDH1A1HTTMAPK1GAA
SCHEMBL10345339 0.83 SRD5A2 (0.61) SRD5A2ELANERAB9APARP10
SCHEMBL143632 0.82 KDM4E (0.46) CTNNB1ALDH1A1KMT2ALMNAMAPT
SCHEMBL31463115 0.82 ELANE (0.60) ALDH1A1HTTL3MBTL1MAPK1GAA
SCHEMBL27449089 0.81 SRD5A2 (0.59) SRD5A2ELANERAB9APARP10
SCHEMBL18417 0.80 ELANE (0.54) ALDH1A1HTTKMT2ALMNASRD5A2
SCHEMBL7534127 0.80 CTNNB1 (0.52) CTNNB1ALDH1A1HTTL3MBTL1MAPK1

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-2154575-B1 Electrophotographic photoreceptor MITSUBISHI CHEM CORP (JP) 2014-12-24 EP claimed