SCHEMBL16702010

SCHEMBL16702010

CCOc1ccc(N(CC)C(CC)=C(C(=O)O)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PARP10 Q53GL7 1/20 0.42
NQO1 P15559 1/20 0.42
MAPT P10636 2/20 0.42
PLA2G4B P0C869 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
PLK1 P53350 1/20 0.41
POLB P06746 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
SCHEMBL545097 0.86 TSHR (0.45) MAPTALDH1A1LMNASMN1; SMN2GLA
SCHEMBL7242144 0.80 MAPT (0.49) MAPT
SCHEMBL2475462 0.80 ALDH1A1 (0.44) MEN1KMT2AALDH1A1GLATSHR
SCHEMBL2595067 0.77 ALDH1A1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2GLA
SCHEMBL7698910 0.76 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2GLA
SCHEMBL10961012 0.71 MAPT (0.49) MEN1KMT2APARP10NQO1MAPT
SCHEMBL11698604 0.70 NQO1 (0.47) MEN1KMT2APARP10NQO1MAPT
SCHEMBL1904633 0.70 POLQ (0.50) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL17769749 0.70 TSHR (0.43) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8006543 0.69 PARP10 (0.58) MEN1KMT2APARP10NQO1MAPT

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-3066098-A1 SUBSTITUTED URACILS AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2015067630-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed