SCHEMBL15313245

SCHEMBL15313245

CCOCCC(Oc1ccccc1)=C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ELANE P08246 2/20 0.36

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
SCHEMBL7520648 0.84 CES2 (0.41) SMN1; SMN2MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL7520639 0.84 CES2 (0.41) SMN1; SMN2MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL15648200 0.81 MEN1 (0.44) KMT2AL3MBTL1MEN1KDM4E
SCHEMBL15254 0.80 ELANE (0.45) SMN1; SMN2MAPTL3MBTL1ALDH1A1MTNR1A
Benzene SCHEMBL27375213 0.80 ELANE (0.45) SMN1; SMN2MAPTL3MBTL1ALDH1A1MTNR1A
SCHEMBL440972 0.80 ELANE (0.45) SMN1; SMN2MAPTL3MBTL1ALDH1A1MTNR1A
SCHEMBL5318627 0.79 SMN1; SMN2 (0.49) SMN1; SMN2MAPTKMT2AALDH1A1MEN1
SCHEMBL3406771 0.79 THRB (0.47) KMT2AMEN1TDP1
SCHEMBL578949 0.79 THRB (0.47) KMT2AMEN1TDP1
SCHEMBL17555974 0.79 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKMT2AL3MBTL1ALDH1A1

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
US-20130273359-A1 USE OF AQUEOUS DISPERSIONS AS PRIMERS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-17 US disclosed