SCHEMBL9168779

SCHEMBL9168779

COC=C(C(=O)O)c1cccc(C)c1SCc1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 1/20 0.43
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
HPGD P15428 3/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 2/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL9168771 1.00 SMN1; SMN2 (0.43) SMN1; SMN2TP53NPC1RAB9AL3MBTL1
SCHEMBL8636885 0.93 L3MBTL1 (0.41) SMN1; SMN2NPC1RAB9AL3MBTL1MEN1
SCHEMBL9169904 0.86 SMN1; SMN2 (0.45) SMN1; SMN2TP53NPC1RAB9AL3MBTL1
SCHEMBL9169891 0.86 SMN1; SMN2 (0.45) SMN1; SMN2TP53NPC1RAB9AL3MBTL1
SCHEMBL9167226 0.83 PPARG (0.39) SMN1; SMN2L3MBTL1TDP1MAPTALDH1A1
SCHEMBL9167219 0.83 PPARG (0.39) SMN1; SMN2L3MBTL1TDP1MAPTALDH1A1
SCHEMBL9170004 0.81 SMN1; SMN2 (0.49) SMN1; SMN2TP53NPC1RAB9AL3MBTL1
SCHEMBL8637704 0.75 KMT2A (0.53) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL8960857 0.75 KMT2A (0.53) SMN1; SMN2NPC1RAB9AL3MBTL1KDM4E
SCHEMBL9333403 0.73 PPARG (0.39) SMN1; SMN2TP53NPC1RAB9AL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606228-B1 PROPENOIC ACID DERIVATIVES AGREVO UK LTD (GB) 1995-04-12 EP disclosed
EP-0606228-A1 PROPENOIC ACID DERIVATIVES. AGREVO UK LTD (GB) 1994-07-20 EP disclosed
WO-1992021653-A1 PROPENOIC ACID DERIVATIVES SCHERING AGROCHEMICALS LIMITED (GB) 1992-12-10 WO disclosed
EP-0517301-A1 Propenoic acid derivatives AgrEvo UK Limited (GB) 1992-12-09 EP disclosed