SCHEMBL8957448

SCHEMBL8957448

O=C(CNC(=O)c1ccccc1)Oc1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
GLA P06280 1/20 0.49
MMP1 P03956 1/20 0.49
GAA P10253 1/20 0.49
PRSS1 P07477 1/20 0.47
CTSG P08311 1/20 0.47
CTRB1 P17538 1/20 0.47
CMA1 P23946 1/20 0.47
RAB9A P51151 3/20 0.46
HPGD P15428 3/20 0.46
NPC1 O15118 2/20 0.46
ELANE P08246 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL27554309 0.90 SMN1; SMN2 (0.56) SMN1; SMN2GLAMMP1GAAPRSS1
SCHEMBL28891518 0.89 SMN1; SMN2 (0.54) SMN1; SMN2GLAMMP1GAAPRSS1
SCHEMBL8957429 0.85 NPC1 (0.62) SMN1; SMN2RAB9ANPC1HTTALDH1A1
Hippuric Acid SCHEMBL8957458 0.80 HIF1A (0.59) SMN1; SMN2GAARAB9ANPC1LMNA
SCHEMBL5655365 0.78 PRSS1 (0.68) SMN1; SMN2GLAMMP1GAAPRSS1
SCHEMBL27998181 0.78 LTA4H (0.54) GLAGAAHPGDELANEHTT
SCHEMBL10915714 0.78 ATM (0.62) SMN1; SMN2GAARAB9AHPGDNPC1
SCHEMBL5783639 0.77 KMT2A (0.43) SMN1; SMN2GLAGAAELANEHTT
Monobenzone SCHEMBL8957440 0.77 ITGB3 (0.64) SMN1; SMN2RAB9ANPC1HTTALDH1A1
SCHEMBL3961994 0.76 GAA (0.59) SMN1; SMN2GLAGAAPRSS1CTSG

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-5527523-A PIGMENT-REMOVING ACTIVITY VIRBAC S.A. (FR) 1996-06-18 US disclosed