SCHEMBL9851540

SCHEMBL9851540

CC(=O)CCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
TP53 P04637 1/20 0.65
PLA2G4B P0C869 5/20 0.63
PKM P14618 1/20 0.62
MAPK1 P28482 2/20 0.61
USP2 O75604 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
RARB P10826 4/20 0.59
HTT P42858 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 1/20 0.59
APEX1 P27695 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
PLA2G4A P47712 1/20 0.56

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
SCHEMBL16156097 0.93 TSHR (0.71) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL14683447 0.93 TSHR (0.71) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL15849204 0.93 TSHR (0.71) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL28881844 0.93 TSHR (0.71) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL16156094 0.93 TSHR (0.71) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL20148862 0.87 L3MBTL1 (0.79) ALOX15HSD17B10L3MBTL1POLBALDH1A1
SCHEMBL522153 0.87 L3MBTL1 (0.61) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL2231223 0.85 PKM (0.67) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL1952122 0.85 TP53 (0.79) TSHRTP53PLA2G4BPKMMAPK1
SCHEMBL118037 0.85 PKM (0.77) TSHRTP53PLA2G4BPKMMAPK1

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
CN-1324359-A Tricyclic carboxamides SMITHKLINE BEECHAM PLC (GB) 2001-11-28 CN disclosed
EP-0428268-A2 Pharmaceutical phenylpyridone derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-05-22 EP disclosed