SCHEMBL7364928

SCHEMBL7364928

CCC(=O)C(C)Cc1ccc(CO)s1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PRSS1 P07477 6/20 0.34
TMPRSS15 P98073 6/20 0.34
DPP4 P27487 1/20 0.31

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
SCHEMBL7364355 0.74 CYP4F2 (0.42) ALDH1A1MAPTKMT2A
SCHEMBL6298270 0.74 HPGD (0.40) ALDH1A1HPGDMEN1GLAMAPT
SCHEMBL7358838 0.72 LTB4R (0.35) ALDH1A1HPGD
SCHEMBL2229904 0.69
SCHEMBL12520102 0.69 GABRA1 (0.39) ALDH1A1MAPTHDAC6
SCHEMBL2969315 0.68
SCHEMBL7365129 0.68 DPP4 (0.34) DPP4
SCHEMBL28738267 0.67 POLB (0.57) ALDH1A1HPGDMEN1GLAMAPT
SCHEMBL13545160 0.67 HPGD (0.54) ALDH1A1HPGDMEN1KMT2A
SCHEMBL31112245 0.67 HPGD (0.54) ALDH1A1HPGDMEN1KMT2A

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
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed