SCHEMBL10515745

SCHEMBL10515745

O=C(O)c1cnc(CCCCCc2ccccc2)c(C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 5/20 0.51
▸ KDM8 Q8N371 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ RIOX2 Q8IUF8 3/20 0.51
▸ EGLN1 Q9GZT9 1/20 0.51
▸ KDM6B O15054 5/20 0.50
▸ KDM4C Q9H3R0 4/20 0.50
▸ FAAH O00519 7/20 0.46
▸ CES1 P23141 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ PLA2G4B P0C869 1/20 0.45
▸ KDM4D Q6B0I6 2/20 0.44
▸ KDM4A O75164 1/20 0.44
▸ KDM3B Q7LBC6 1/20 0.44
▸ HIF1AN Q9NWT6 1/20 0.44
▸ KDM5B Q9UGL1 1/20 0.44
▸ KDM2A Q9Y2K7 1/20 0.44
▸ HDAC1 Q13547 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
SCHEMBL10515854 0.96 ASPH (0.50) ASPHKDM8KDM4ERIOX2EGLN1
SCHEMBL10515374 0.83 PKM (0.49) PLA2G4B
SCHEMBL1722473 0.76 SMN1; SMN2 (0.57) ASPHKDM8KDM4ERIOX2EGLN1
SCHEMBL29819483 0.75 TSHR (0.44) KDM4EMAPT
SCHEMBL10764581 0.73 HCAR2 (0.41) ASPHKDM8KDM4EMAPT
SCHEMBL2130083 0.73 SMN1; SMN2 (0.57) ASPHKDM8KDM4EKDM6BKDM4C
SCHEMBL2743520 0.72 HDAC1 (0.68) MAPTRXFP1PLA2G4BHDAC1
SCHEMBL2402134 0.72 HDAC1 (0.68) MAPTRXFP1PLA2G4BHDAC1
SCHEMBL11563158 0.72 HCAR3 (0.67) ASPHKDM8KDM4ERIOX2EGLN1
SCHEMBL19857480 0.72 GABRP (0.46) KDM4EMAPT

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-0330470-A2 1,4-Dihydropyridine derivatives useful against tumour cells AJINOMOTO CO., INC. (JP) 1989-08-30 — — EP claimed
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