SCHEMBL9701732

SCHEMBL9701732

CO/C=C(\C(=O)OC)c1ccccc1CSc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL9655146 1.00 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2KDM4ETDP1PPARG
SCHEMBL9701736 0.90 KDM4E (0.42) L3MBTL1SMN1; SMN2KDM4ETDP1PPARG
SCHEMBL8999276 0.90 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2PPARGPPARANPC1
SCHEMBL8999280 0.90 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2PPARGPPARANPC1
SCHEMBL9702194 0.87 PPARG (0.41) L3MBTL1PPARGPPARALMNA
SCHEMBL9654222 0.87 PPARG (0.41) L3MBTL1PPARGPPARALMNA
SCHEMBL8159930 0.85 MRGPRX4 (0.42) L3MBTL1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL8159935 0.85 MRGPRX4 (0.42) L3MBTL1SMN1; SMN2KDM4ETDP1MAPT
SCHEMBL9655702 0.85 ANPEP (0.41) PPARGPPARAMAPTLMNAALDH1A1
SCHEMBL9703363 0.85 ANPEP (0.41) PPARGPPARAMAPTLMNAALDH1A1

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