SCHEMBL2272940

SCHEMBL2272940

O=C(Nc1cc(-c2ccc3c(c2)OCO3)ccc1C(=O)O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
KMT2A Q03164 2/20 0.62
ACLY P53396 2/20 0.53
ALDH1A1 P00352 3/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
RXFP2 Q8WXD0 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
HDAC2 Q92769 1/20 0.49
PTGS2 P35354 1/20 0.49
PKM P14618 2/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 1/20 0.46
CCR2 P41597 1/20 0.46
GRIK1 P39086 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
KCNK2 O95069 3/20 0.45
KCNK10 P57789 3/20 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
SCHEMBL2272852 0.89 CASP3 (0.57) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL2272541 0.88 PTGS2 (0.63) NPC1RAB9AKMT2AALDH1A1MEN1
SCHEMBL2274795 0.87 NPC1 (0.60) NPC1RAB9AKMT2AACLYALDH1A1
SCHEMBL2273182 0.83 PTGS2 (0.66) NPC1RAB9AKMT2AACLYALDH1A1
SCHEMBL2267918 0.82 ACLY (0.74) NPC1RAB9AKMT2AACLYHDAC2
SCHEMBL2277756 0.82 PTGS2 (0.57) NPC1RAB9AKMT2AACLYALDH1A1
SCHEMBL2274927 0.81 ACLY (0.63) NPC1RAB9AKMT2AACLYALDH1A1
SCHEMBL2271243 0.80 ADCY1 (0.61) NPC1RAB9AKMT2AACLYALDH1A1
SCHEMBL2274216 0.78 RAB9A (0.60) NPC1RAB9AKMT2AACLYALDH1A1
SCHEMBL2272939 0.77 ACLY (0.71) NPC1RAB9AKMT2AACLYMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094829-B novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO.,LTD. (JP) 2012-02-08 CN disclosed
US-7999132-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-08-16 US disclosed
CN-101094829-A Novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2007-12-26 CN disclosed
EP-1820795-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-08-22 EP disclosed