SCHEMBL7598503

SCHEMBL7598503

CC(C)[C@H](N)C(=O)OCC/C=C\C(=O)OC(=O)CCCCCOC(=O)[C@@H](N)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RY10 O00398 6/20 0.32
GPR34 Q9UPC5 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
GPR174 Q9BXC1 2/20 0.30
DGKA P23743 2/20 0.30
NAAA Q02083 1/20 0.30

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
SCHEMBL7603141 0.88 IARS1 (0.32) P2RY10GPR34GPR174
SCHEMBL7598508 0.81 EPHX2 (0.39) ALDH1A1LMNA
SCHEMBL7598497 0.81 EPHX2 (0.39) ALDH1A1LMNA
SCHEMBL7598506 0.81 EPHX2 (0.39) ALDH1A1LMNA
SCHEMBL27165965 0.77 ALDH1A1 (0.35) P2RY10GPR34PRSS1PRSS2PRSS3
SCHEMBL14095430 0.75 SLC7A5 (0.42) ALDH1A1NAAA
SCHEMBL26231092 0.75 SLC7A5 (0.42) ALDH1A1NAAA
SCHEMBL26231086 0.75 SLC7A5 (0.42) ALDH1A1NAAA
SCHEMBL6368605 0.73 SLC7A5 (0.44) ALDH1A1NAAA
SCHEMBL8635690 0.72 ALDH1A1 (0.41) ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002503673-A 2002-02-05 JP claimed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 EP claimed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 WO claimed