SCHEMBL4684263

SCHEMBL4684263

CNCC(=O)OCc1ccccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.44
FOLH1 Q04609 3/20 0.44
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
KMT2A Q03164 2/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
ALDH1A1 P00352 4/20 0.41
CLCN2 P51788 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL4686604 0.85 HTT (0.44) HTTTP53TSHRFOLH1CYP2C9
SCHEMBL4684273 0.82 TP53 (0.43) HTTTP53TSHRFOLH1CYP2C9
SCHEMBL7106553 0.80 KMT2A (0.44) HTTTP53KMT2AALDH1A1LMNA
SCHEMBL11615588 0.79 TP53 (0.48) HTTTP53TSHRFOLH1CYP2C9
SCHEMBL292345 0.79 TP53 (0.54) HTTTP53TSHRFOLH1MRGPRX4
SCHEMBL30873521 0.79 TP53 (0.54) HTTTP53TSHRFOLH1MRGPRX4
SCHEMBL1687346 0.78 ALDH1A1 (0.61) CYP2C9KMT2APPARAALDH1A1L3MBTL1
SCHEMBL38654957 0.78 ALDH1A1 (0.58) HTTTP53TSHRFOLH1CYP2C9
SCHEMBL2652361 0.78 ALDH1A1 (0.58) HTTTP53TSHRFOLH1CYP2C9
SCHEMBL4685591 0.78 FOLH1 (0.47) HTTTP53TSHRFOLH1CYP2C9

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-1362856-B1 WATER-SOLUBLE TRIAZOLE FUNGICIDE DAIICHI SANKYO CO LTD (JP) 2008-09-10 EP claimed