SCHEMBL9170004

SCHEMBL9170004

Cc1ccc(CSc2c(C)cccc2C(=O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
HPGD P15428 3/20 0.37
POLB P06746 3/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 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
SCHEMBL9317843 0.91 SMN1; SMN2 (0.40) SMN1; SMN2TP53RAB9ANPC1KMT2A
SCHEMBL9169891 0.84 SMN1; SMN2 (0.45) SMN1; SMN2TP53RAB9ANPC1PTGDR2
SCHEMBL9169904 0.84 SMN1; SMN2 (0.45) SMN1; SMN2TP53RAB9ANPC1PTGDR2
SCHEMBL9168771 0.81 SMN1; SMN2 (0.43) SMN1; SMN2TP53RAB9ANPC1PTGDR2
SCHEMBL9168779 0.81 SMN1; SMN2 (0.43) SMN1; SMN2TP53RAB9ANPC1PTGDR2
SCHEMBL9523771 0.79 ALDH1A1 (0.51) SMN1; SMN2TP53KMT2AMEN1HPGD
SCHEMBL9170254 0.78 NPSR1 (0.41) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL9168897 0.77 PTGS2 (0.43) SMN1; SMN2TP53PTGDR2HPGDPOLB
SCHEMBL9164209 0.75 HIF1A (0.43) SMN1; SMN2TP53RAB9ANPC1KMT2A
SCHEMBL9164204 0.75 HIF1A (0.43) SMN1; SMN2TP53RAB9ANPC1KMT2A

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 3 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
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