SCHEMBL11068908

SCHEMBL11068908

CCCC(=O)c1cc(C(=O)C(=O)OC(=O)C(=O)c2cc(C(=O)CCC)c(C)cc2N)c(N)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
STS P08842 1/20 0.33
HSD17B3 P37058 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL10803691 0.81 TDP1 (0.43) TDP1HSD17B10ALDH1A1HPGDALOX15
SCHEMBL11271074 0.81 HPGD (0.48) TDP1HSD17B10ALDH1A1HPGDALOX15
Hydrochloric Acid SCHEMBL11264387 0.79 HPGD (0.47) TDP1HSD17B10ALDH1A1HPGDALOX15
SCHEMBL11061402 0.79 ALDH1A1 (0.36) TDP1HSD17B10ALDH1A1HPGDALOX15
SCHEMBL11064529 0.78 ALDH1A1 (0.43) TDP1HSD17B10ALDH1A1HPGDALOX15
SCHEMBL11073590 0.76 ALDH1A1 (0.37) TDP1HSD17B10ALDH1A1HPGDALOX15
SCHEMBL11070577 0.74 GAA (0.41) TDP1HSD17B10ALDH1A1HPGDALOX15
SCHEMBL11209782 0.73 ALDH1A1 (0.44) TDP1HSD17B10ALDH1A1HPGDALOX15
Hydrochloric Acid SCHEMBL11212030 0.72 ALDH1A1 (0.43) TDP1HSD17B10ALDH1A1HPGDALOX15
SCHEMBL23544604 0.71 HPGD (0.53) TDP1HSD17B10ALDH1A1HPGDALOX15

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