SCHEMBL7304300

SCHEMBL7304300

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
ALOX15 P16050 1/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HSD17B3 P37058 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.39
STS P08842 1/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
ALOX5 P09917 1/20 0.38
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7304310 0.83 HPGD (0.57) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL8577020 0.82 HPGD (0.50) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL10497530 0.77 HSD17B3 (0.55) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL12232545 0.77 HSD17B3 (0.55) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL7298746 0.75 HSD17B3 (0.48) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL5570090 0.74 HSD17B3 (0.52) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL7303953 0.73 HPGD (0.42) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL16803280 0.72 HSD17B3 (0.50) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL5565349 0.72 CES2 (0.50) HPGDALDH1A1TSHRALOX15RECQL
SCHEMBL20207163 0.72 HSD17B3 (0.55) HPGDALDH1A1TSHRALOX15RECQL

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