SCHEMBL7417686

SCHEMBL7417686

CC(OC(CO)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.49
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
TRPA1 O75762 3/20 0.42
APAF1 O14727 1/20 0.41
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
PTGS1 P23219 1/20 0.39

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
SCHEMBL28797863 0.86 KMT2A (0.46) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL14935912 0.81 GSR (0.50) GSRBLMTRPA1LMNA
SCHEMBL14935978 0.81 GSR (0.50) GSRBLMTRPA1LMNA
SCHEMBL16398170 0.81 GSR (0.50) GSRBLMTRPA1LMNA
SCHEMBL4426985 0.80 GSR (0.57) GSRBLMTRPA1CYP2D6SRC
SCHEMBL8602813 0.79 GSR (0.49) GSRBLMTRPA1LMNA
SCHEMBL6898472 0.77 HCAR2 (0.49) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL187761 0.77 KMT2A (0.47) KMT2ACYP1A2GAACYP2C9PKM
SCHEMBL13843585 0.76 TRPA1 (0.47) GSRKMT2ABLMTRPA1LMNA
SCHEMBL14945485 0.76 TRPA1 (0.47) GSRKMT2ABLMTRPA1LMNA

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-1173415-A1 DIPHENYLUREA DERIVATIVES AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000064866-A1 DIPHENYLUREA DERIVATIVES ASTRAZENECA AB (SE) 2000-11-02 WO disclosed