SCHEMBL5097639

SCHEMBL5097639

COC(=O)c1cc(OCC(=O)c2ccc(OC)cc2OC)c2cc(F)ccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KMT2A Q03164 4/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 3/20 0.46
RXFP1 Q9HBX9 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
KCNH2 Q12809 3/20 0.44
POLB P06746 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AXL P30530 2/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL5090503 0.87 PLA2G2A (0.51) PLA2G2ARAB9ANPC1SMN1; SMN2MAPT
SCHEMBL5091911 0.84 NPC1 (0.53) PLA2G2ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5093348 0.82 PKM (0.44) PLA2G2ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5097655 0.82 MAPT (0.46) PLA2G2ASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL5093320 0.82 PLA2G2A (0.49) PLA2G2ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL5088547 0.81 PLA2G2A (0.47) PLA2G2ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5093345 0.80 PLA2G2A (0.45) PLA2G2ASMN1; SMN2KCNH2CASP3
SCHEMBL5097671 0.80 RECQL (0.46) PLA2G2ARAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL5097709 0.79 PLA2G2A (0.47) PLA2G2ARAB9AKMT2AMAPTMEN1
SCHEMBL5091959 0.79 PLA2G2A (0.45) PLA2G2ARAB9ANPC1SMN1; SMN2KMT2A

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
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed
US-7470708-B2 Acidic quinoline derivatives and their use for the prevention and/or treatment of hyperglycaemia-related pathologies MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2008-12-30 US disclosed