SCHEMBL4574940

SCHEMBL4574940

Cc1oc2c(OC(F)F)ccc(C(=O)O)c2c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
PDE4D Q08499 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 3/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
TEAD4 Q15561 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGER4 P35408 1/20 0.34
HTT P42858 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL74507 0.82 ALDH1A1 (0.47) NPC1PDE4DPDE4APDE4BPDE4C
SCHEMBL73469 0.77 PDE4A (0.41) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL73967 0.77 PDE4B (0.42) NPC1PDE4DPDE4APDE4BPDE4C
SCHEMBL5506611 0.77 PDE4A (0.40) NPC1PDE4DPDE4APDE4BPDE4C
SCHEMBL11335559 0.77 CYP1A2 (0.46) NPC1CYP1A2KDM4ERAB9AALDH1A1
SCHEMBL5018032 0.76 PDE4B (0.46) NPC1PDE4DPDE4APDE4BPDE4C
SCHEMBL15016077 0.75 PDE4D (0.34) NPC1PDE4DPDE4APDE4BPDE4C
SCHEMBL4574337 0.74 PDE4D (0.38) NPC1PDE4DPDE4APDE4BPDE4C
SCHEMBL5973105 0.74 ALDH1A1 (0.38) NPC1PDE4DPDE4APDE4BPDE4C
SCHEMBL15016128 0.74 PDE4A (0.33) PDE4DPDE4APDE4BPDE4CCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008081282-A2 PROCESS FOR THE SYNTHESIS OF N9-(3,5-DICHLORO-4-PYRIDYL)-6- DIFLUOROMETHOXYBENZO(4,5)FURO(3,2-C)PYRIDINE-9-CARBOXAMIDE AND SALTS THEREOF GLENMARK PHARMACEUTICALS S.A. (US) 2008-07-10 WO disclosed