SCHEMBL9037560

SCHEMBL9037560

O=C(O)c1cnc(CF)c(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 4/20 0.40
▸ MGAM O43451 1/20 0.40
▸ P4HA1 P13674 3/20 0.38
▸ P4HTM Q9NXG6 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ASPH Q12797 2/20 0.38
▸ KDM8 Q8N371 1/20 0.38
▸ MIF P14174 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ GABRP O00591 2/20 0.36
▸ GABRD O14764 2/20 0.36
▸ GABRA1 P14867 2/20 0.36
▸ GABRB1 P18505 2/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36
▸ GABRA3 P34903 2/20 0.36
▸ GABRA2 P47869 2/20 0.36
▸ GABRB2 P47870 2/20 0.36

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
SCHEMBL10764581 0.83 HCAR2 (0.41) HCAR2MGAMP4HA1P4HTMKDM4E
SCHEMBL19857480 0.81 GABRP (0.46) HCAR2MGAMP4HA1P4HTMKDM4E
SCHEMBL30615442 0.80 DHODH (0.42) HCAR2KDM4EASPHKDM8ALDH1A1
SCHEMBL21464267 0.80 DHODH (0.42) HCAR2KDM4EASPHKDM8ALDH1A1
SCHEMBL29819483 0.79 TSHR (0.44) MGAMP4HA1P4HTMKDM4EMIF
SCHEMBL10447248 0.79 MGAM (0.38) HCAR2MGAMP4HA1P4HTMKDM4E
SCHEMBL10768873 0.75 MGAM (0.35) HCAR2MGAMP4HA1P4HTMKDM4E
SCHEMBL10768907 0.75 MGAM (0.38) MGAMP4HA1P4HTMKDM4EMIF
SCHEMBL10768874 0.74 MGAM (0.37) MGAMP4HA1P4HTMKDM4EALDH1A1
SCHEMBL10515854 0.73 ASPH (0.50) MGAMKDM4EASPHKDM8POLB

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
EP-0741705-A1 4-(2-(3-ARYLOXY-2-HYDROXYPROPYLAMINO ALKYLOXY)-5-NITROPHENYL)-1,4-DIHYDROPYRIDINES AS ANTIHYPERTENSIVE AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 — — EP disclosed
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