SCHEMBL8995877

SCHEMBL8995877

Cc1ccc(O)c(NCC=O)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
KCNMA1 Q12791 3/20 0.45
HTT P42858 4/20 0.42
TRPA1 O75762 1/20 0.42
CXCR2 P25025 1/20 0.42
NPC1 O15118 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PKM P14618 1/20 0.40
HSD17B2 P37059 1/20 0.40

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
SCHEMBL27624585 0.81 ALDH1A1 (0.40) GAAMAPTMEN1KMT2APOLB
SCHEMBL25119511 0.79 CYP1A2 (0.38) GAASMN1; SMN2MAPTHTTMEN1
SCHEMBL1259060 0.77 CYP3A4 (0.50) GAASMN1; SMN2MAPTKCNMA1HTT
SCHEMBL30086871 0.77 CYP3A4 (0.50) GAASMN1; SMN2MAPTKCNMA1HTT
SCHEMBL11011981 0.77 MAPT (0.48) GAASMN1; SMN2MAPTHTTCXCR2
SCHEMBL9423674 0.76 KDM5A (0.58) GAASMN1; SMN2MAPTKCNMA1HTT
SCHEMBL28091170 0.74 IDO1 (0.51) GAASMN1; SMN2MAPTKCNMA1HTT
SCHEMBL2201889 0.74 GAA (0.45) GAASMN1; SMN2MAPTKCNMA1HTT
Sulfuric Acid SCHEMBL16058497 0.74 HSD17B2 (0.46) GAASMN1; SMN2MAPTKCNMA1HTT
SCHEMBL10873018 0.73 MAPT (0.53) GAASMN1; SMN2MAPTHTTTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723574-A1 PROCESS FOR DETECTING MARKED MINERAL OILS AND NEW AZO DYES BASF AKTIENGESELLSCHAFT (DE) 1996-07-31 EP disclosed
WO-1995010581-A1 PROCESS FOR DETECTING MARKED MINERAL OILS AND NEW AZO DYES BASF AKTIENGESELLSCHAFT (DE) 1995-04-20 WO disclosed