SCHEMBL11061402

SCHEMBL11061402

CCCC(=O)c1cc(C(=O)C(=O)OC(=O)C(=O)c2cc(C(=O)CCC)c(C)cc2NCC)c(NCC)cc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
TSHR P16473 2/20 0.36
RECQL P46063 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HMGCR P04035 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 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
SCHEMBL11064529 0.91 ALDH1A1 (0.43) ALDH1A1TSHRRECQLHPGDALOX15
SCHEMBL11073590 0.88 ALDH1A1 (0.37) ALDH1A1TSHRRECQLHPGDALOX15
SCHEMBL11070577 0.86 GAA (0.41) ALDH1A1TSHRRECQLHPGDALOX15
SCHEMBL11071632 0.82 MAPT (0.42) ALDH1A1TSHRRECQLHPGDALOX15
SCHEMBL11068685 0.81 HSD17B3 (0.41) ALDH1A1HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL11068908 0.79 TDP1 (0.39) ALDH1A1TSHRRECQLHPGDALOX15
SCHEMBL11279686 0.73 HCAR3 (0.52) ALDH1A1RECQLHPGDLMNAMAPT
SCHEMBL11071289 0.69 KDM4E (0.45) ALDH1A1HPGDHSD17B10LMNAMAPT
SCHEMBL23544604 0.69 HPGD (0.53) ALDH1A1TSHRRECQLHPGDALOX15
SCHEMBL11068912 0.68 METAP2 (0.45) ALDH1A1TSHRHPGDHSD17B10LMNA

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