SCHEMBL27749481

SCHEMBL27749481

Cc1ccccc1C(=O)NCc1cccc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.60
MAPK1 P28482 1/20 0.58
HPGD P15428 5/20 0.56
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MEN1 O00255 1/20 0.53
PPARG P37231 2/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
APEX1 P27695 1/20 0.51
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
ESR1 P03372 1/20 0.50

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
SCHEMBL16127853 0.87 KMT2A (0.73) NR1H4MAPK1HPGDKMT2APPARG
SCHEMBL1032002 0.85 MAPK1 (0.77) MAPK1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL20371784 0.84 ROCK2 (0.60) MAPK1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL1420642 0.84 NR1H4 (0.62) NR1H4MAPK1HPGDKMT2ASMN1; SMN2
SCHEMBL17373986 0.84 HPGD (0.74) MAPK1HPGDKMT2ASMN1; SMN2KDM4E
SCHEMBL13501302 0.84 NR1H4 (0.76) NR1H4MAPK1HPGDKMT2AALDH1A1
SCHEMBL27839105 0.83 NPC1 (0.57) NR1H4HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL28792757 0.83 RAB9A (0.57) NR1H4MAPK1HPGDKMT2ASMN1; SMN2
SCHEMBL13162908 0.83 MAPK1 (0.61) NR1H4MAPK1HPGDKMT2ASMN1; SMN2
SCHEMBL15600276 0.80 NR1H4 (0.61) NR1H4MAPK1KMT2ARAB9A

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-101490021-B Insecticidal compounds SYNGENTA PARTICIPATIONS AG 2011-11-02 CN disclosed
CN-101490021-A Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2009-07-22 CN disclosed