SCHEMBL7304310

SCHEMBL7304310

CCCC(=O)c1cc(C(=O)CCC)c(O)c(C(=O)CCC)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.57
ALDH1A1 P00352 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
RECQL P46063 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HSD17B3 P37058 8/20 0.53
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FASN P49327 2/20 0.40
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.39
HMGCR P04035 1/20 0.39
STS P08842 1/20 0.39

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
SCHEMBL7304300 0.83 HPGD (0.52) HPGDALDH1A1ALOX15TSHRRECQL
SCHEMBL28488463 0.83 HSD17B10 (0.57) HPGDALDH1A1ALOX15TSHRRECQL
SCHEMBL8577020 0.82 HPGD (0.50) HPGDALDH1A1ALOX15TSHRRECQL
SCHEMBL20207163 0.81 HSD17B3 (0.55) HPGDALDH1A1ALOX15TSHRRECQL
SCHEMBL6727835 0.79 HSD17B3 (0.53) HPGDALDH1A1ALOX15TSHRRECQL
SCHEMBL10599990 0.79 HSD17B3 (0.53) HPGDALDH1A1ALOX15TSHRRECQL
SCHEMBL10600090 0.79 HSD17B3 (0.53) HPGDALDH1A1ALOX15TSHRRECQL
SCHEMBL11620046 0.78 HMGB1 (0.53) HPGDALDH1A1ALOX15TSHRRECQL
SCHEMBL9417188 0.78 ESR1 (0.53) HPGDALDH1A1ALOX15TSHRRECQL
SCHEMBL946114 0.78 ALDH1A1 (0.66) HPGDALDH1A1ALOX15TSHRRECQL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5629406-A AMINO ACID DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1997-05-13 US disclosed
EP-0587311-A1 Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1994-03-16 EP disclosed