SCHEMBL7470087

SCHEMBL7470087

COc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)O)cc4c3)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.60
PDGFRA P16234 2/20 0.60
MAPT P10636 7/20 0.56
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
KDM4E B2RXH2 4/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 1/20 0.55
PRNP P04156 1/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
TP53 P04637 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
TSHR P16473 1/20 0.54
TAS1R3 Q7RTX0 2/20 0.50
TAS1R1 Q7RTX1 2/20 0.50
MMP2 P08253 1/20 0.50
MMP14 P50281 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.49
CASP1 P29466 1/20 0.48

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
SCHEMBL7469267 0.92 PDGFRB (0.57) PDGFRBPDGFRAMAPTNPC1RAB9A
SCHEMBL27520204 0.87 NPC1 (0.53) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL5679468 0.85 FLT3 (0.51) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL5896838 0.83 FLT3 (0.49) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL5733671 0.83 RAB9A (0.62) PDGFRBPDGFRAMAPTNPC1RAB9A
SCHEMBL5675864 0.81 MMP2 (0.51) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL7469292 0.80 KMT2A (0.50) PDGFRBPDGFRAMAPTNPC1RAB9A
SCHEMBL5679454 0.79 FLT3 (0.45) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL5866917 0.79 TP53 (0.74) MAPTNPC1RAB9AKDM4EKMT2A
SCHEMBL7465546 0.79 MAPT (0.51) MAPTNPC1RAB9AKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed