SCHEMBL9169904

SCHEMBL9169904

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 2/20 0.45
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.36
KMT2A Q03164 5/20 0.35
HPGD P15428 4/20 0.35
MEN1 O00255 4/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 4/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9169891 1.00 SMN1; SMN2 (0.45) SMN1; SMN2TP53RAB9ANPC1PTGDR2
SCHEMBL9168771 0.86 SMN1; SMN2 (0.43) SMN1; SMN2TP53RAB9ANPC1PTGDR2
SCHEMBL9168779 0.86 SMN1; SMN2 (0.43) SMN1; SMN2TP53RAB9ANPC1PTGDR2
SCHEMBL9170004 0.84 SMN1; SMN2 (0.49) SMN1; SMN2TP53RAB9ANPC1PTGDR2
SCHEMBL8636885 0.79 L3MBTL1 (0.41) SMN1; SMN2RAB9ANPC1KMT2AMEN1
SCHEMBL9317843 0.76 SMN1; SMN2 (0.40) SMN1; SMN2TP53RAB9ANPC1KMT2A
SCHEMBL9523771 0.75 ALDH1A1 (0.51) SMN1; SMN2TP53KMT2AHPGDMEN1
SCHEMBL9170328 0.74 HTT (0.47) TP53RAB9ANPC1KMT2AMEN1
SCHEMBL9168897 0.73 PTGS2 (0.43) SMN1; SMN2TP53PTGDR2HPGDKDM4E
SCHEMBL9164209 0.71 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 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