SCHEMBL11068685

SCHEMBL11068685

CCCC(=O)c1ccc(NCC)c(C(=O)C(=O)OC(=O)C(=O)c2cc(C(=O)CCC)ccc2NCC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.41
HPGD P15428 6/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
PLEC Q15149 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HCAR3 P49019 1/20 0.37
STS P08842 1/20 0.37
RAB9A P51151 4/20 0.36
NPC1 O15118 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PDE4D Q08499 4/20 0.34

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
SCHEMBL11071289 0.83 KDM4E (0.45) HPGDALDH1A1MAPTGAAKDM4E
SCHEMBL11061402 0.81 ALDH1A1 (0.36) HPGDALDH1A1MAPTGAAKDM4E
SCHEMBL11068912 0.76 METAP2 (0.45) HPGDALDH1A1
SCHEMBL11064529 0.72 ALDH1A1 (0.43) HPGDALDH1A1MAPTGAAKDM4E
SCHEMBL11073590 0.70 ALDH1A1 (0.37) HPGDALDH1A1MAPTGAAKDM4E
SCHEMBL11070577 0.69 GAA (0.41) HPGDALDH1A1MAPTGAAKDM4E
SCHEMBL17938280 0.68 ALDH1A1 (0.68) HPGDALDH1A1MAPTGAAKDM4E
SCHEMBL8962350 0.66 HPGD (0.54) HSD17B3HPGDALDH1A1MAPTKDM4E
SCHEMBL26254861 0.66 HSD17B3 (0.82) HSD17B3HPGDALDH1A1GAAKDM4E
SCHEMBL26958041 0.65 HSD17B3 (0.61) HSD17B3HPGDALDH1A1MAPTKDM4E

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
US-4476132-A Acylquinolinone derivatives, and antiallergic preparations and methods of inhibiting allergic reactions using them CIBA-GEIGY CORPORATION (US) 1984-10-09 US disclosed