SCHEMBL7581695

SCHEMBL7581695

COC(=O)CCOc1ncccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
GRM4 Q14833 3/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 3/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 2/20 0.39
PKM P14618 1/20 0.39
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL3238420 0.84 ALDH1A1 (0.42) GRM4ALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL7587819 0.83 GRM4 (0.44) PPARGPPARAGRM4ALDH1A1SMN1; SMN2
SCHEMBL7645960 0.80 KDM4E (0.44) PPARGPPARAALDH1A1SMN1; SMN2TDP1
SCHEMBL7586808 0.79 LMNA (0.60) ALDH1A1SMN1; SMN2TDP1LMNAL3MBTL1
SCHEMBL12754891 0.76 KDM4E (0.45) GRM4ALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL29174339 0.76 GRM4 (0.41) GRM4ALDH1A1TDP1L3MBTL1HTT
SCHEMBL8825478 0.76 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNACA12CA1
SCHEMBL323831 0.74 ALDH1A1 (0.48) GRM4ALDH1A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL28311734 0.72 KDM4E (0.49) PPARGPPARAALDH1A1SMN1; SMN2LMNA
SCHEMBL5393301 0.72 ALDH1A1 (0.39) GRM4ALDH1A1TDP1LMNAL3MBTL1

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
WO-2002098227-A1 PLANT GROWTH REGULATORS FOR COTTON HERVEST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-12 WO disclosed