SCHEMBL17258282

SCHEMBL17258282

CCCCCC[C@H](C)OC(=O)c1ccccc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
TSHR P16473 3/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP3A4 P08684 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 1/20 0.46
FAAH O00519 1/20 0.44
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44

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
SCHEMBL6398618 1.00 ALDH1A1 (1.00) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6405098 1.00 ALDH1A1 (1.00) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6405741 1.00 ALDH1A1 (1.00) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL3782139 1.00 ALDH1A1 (1.00) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL1417173 1.00 ALDH1A1 (1.00) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6400394 1.00 ALDH1A1 (1.00) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6400496 1.00 ALDH1A1 (1.00) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6400038 1.00 ALDH1A1 (1.00) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6400267 1.00 ALDH1A1 (1.00) ALDH1A1PRSS1PRSS2PRSS3TSHR
SCHEMBL6407669 1.00 ALDH1A1 (1.00) ALDH1A1PRSS1PRSS2PRSS3TSHR

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-20150328329-A1 LIGANDS THAT TARGET HCV-E2 BINDING SITES ON CD81 AND THERAPEUTIC METHODS USING THEM American University of Cairo (EG) 2015-11-19 US disclosed