SCHEMBL4473054

SCHEMBL4473054

C=Cc1c(OCc2ccccc2)c(Cc2ccccc2)c[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPYD Q12882 1/20 0.45
PNP P00491 2/20 0.42
MAPK14 Q16539 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
NSD2 O96028 1/20 0.37
ABL1 P00519 1/20 0.37
PPARG P37231 1/20 0.37
RIN1 Q13671 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
MET P08581 1/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL6829370 0.80 POLB (0.50) DPYDPNPPOLBSMN1; SMN2MEN1
SCHEMBL3573556 0.80 DPYD (0.48) DPYDPNPMAPK14POLBSMN1; SMN2
SCHEMBL6652475 0.72 DPYD (0.41) DPYDPNPPOLBSMN1; SMN2PPARG
SCHEMBL6472836 0.72 NR4A1 (0.47) DPYDPNPSMN1; SMN2MEN1KMT2A
SCHEMBL6472152 0.71 MAOB (0.47) DPYDPNPPOLBSMN1; SMN2GAA
SCHEMBL6472151 0.70 PARP10 (0.49) DPYDPNP
SCHEMBL3653544 0.69 PNP (0.44) DPYDPNPPOLBHPGD
SCHEMBL6471640 0.69 DPYD (0.41) DPYDPNPMAPK14POLBSMN1; SMN2
SCHEMBL6472682 0.69 LMNA (0.49) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6647198 0.68 PNP (0.40) DPYDPNPPOLBSMN1; SMN2L3MBTL1

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-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed