SCHEMBL9701736

SCHEMBL9701736

CC=C(C(=O)OC)c1ccccc1CSc1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL9701732 0.90 L3MBTL1 (0.41) KDM4EPPARGPPARAHTTL3MBTL1
SCHEMBL9655146 0.90 L3MBTL1 (0.41) KDM4EPPARGPPARAHTTL3MBTL1
SCHEMBL8999286 0.90 L3MBTL1 (0.46) PPARGPPARAL3MBTL1SMN1; SMN2NPC1
SCHEMBL9702198 0.87 PPARG (0.42) PPARGPPARAL3MBTL1MEN1KMT2A
SCHEMBL8999280 0.80 L3MBTL1 (0.44) PPARGPPARAL3MBTL1SMN1; SMN2NPC1
SCHEMBL8999276 0.80 L3MBTL1 (0.44) PPARGPPARAL3MBTL1SMN1; SMN2NPC1
SCHEMBL9654222 0.78 PPARG (0.41) PPARGPPARAL3MBTL1LMNA
SCHEMBL9702194 0.78 PPARG (0.41) PPARGPPARAL3MBTL1LMNA
SCHEMBL5997915 0.77 HPGD (0.41) KDM4EL3MBTL1SMN1; SMN2TDP1LMNA
SCHEMBL9703367 0.77 LMNA (0.46) KDM4EPOLBSMN1; SMN2TDP1MEN1

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-5118710-A SULFUR-CONTAINING ACRYLIC ESTERS AND FUNGICIDES CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1992-06-02 US disclosed