SCHEMBL5097671

SCHEMBL5097671

COC(=O)c1cc(OCC(=O)c2ccc(C)cc2)c2cc(F)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 5/20 0.44
PKM P14618 2/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PLA2G2A P14555 4/20 0.43
KCNH2 Q12809 1/20 0.41
DHODH Q02127 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL5093348 0.95 PKM (0.44) RECQLLMNAMEN1KMT2AMAPT
SCHEMBL5088547 0.91 PLA2G2A (0.47) RECQLL3MBTL1LMNATDP1MEN1
SCHEMBL5090503 0.91 PLA2G2A (0.51) MAPTKDM4ESMN1; SMN2PLA2G2AKCNH2
SCHEMBL5091959 0.91 PLA2G2A (0.45) L3MBTL1LMNAMEN1KMT2AMAPT
SCHEMBL5090535 0.90 DHODH (0.52) L3MBTL1LMNAMAPK1TDP1MAPT
SCHEMBL5097655 0.88 MAPT (0.46) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL5088534 0.87 PLA2G2A (0.42) L3MBTL1LMNAMEN1KMT2AMAPT
SCHEMBL5088571 0.85 RAB9A (0.48) L3MBTL1LMNAMAPK1TDP1MEN1
SCHEMBL5091911 0.84 NPC1 (0.53) L3MBTL1LMNAMAPK1TDP1MEN1
SCHEMBL5093345 0.83 PLA2G2A (0.45) KDM4ESMN1; SMN2PLA2G2AKCNH2DHODH

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