SCHEMBL11648441

SCHEMBL11648441

CC(=O)O[C@@H]1C[C@H](OC(=O)c2ccc(C)cc2)[C@@H](COC(=O)c2ccc(C)cc2)O1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.58
HPGD P15428 1/20 0.45
LGALS9 O00182 1/20 0.39
LGALS1 P09382 1/20 0.39
LGALS3 P17931 1/20 0.39
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
RAB9A P51151 4/20 0.38
PTPN1 P18031 1/20 0.37
RNASE1 P07998 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TRPV1 Q8NER1 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16749118 1.00 UPP1 (0.58) UPP1HPGDLGALS9LGALS1LGALS3
SCHEMBL11648434 1.00 UPP1 (0.58) UPP1HPGDLGALS9LGALS1LGALS3
SCHEMBL37457 0.89 UPP1 (0.72) UPP1HPGDPTPN1HSD17B10ALDH1A1
SCHEMBL37456 0.89 UPP1 (0.72) UPP1HPGDPTPN1HSD17B10ALDH1A1
SCHEMBL13376174 0.89 UPP1 (0.72) UPP1HPGDPTPN1HSD17B10ALDH1A1
SCHEMBL12800214 0.89 UPP1 (0.72) UPP1HPGDPTPN1HSD17B10ALDH1A1
SCHEMBL22992327 0.89 UPP1 (0.56) UPP1RNASE1NPC1ALDH1A1
SCHEMBL17106654 0.89 UPP1 (0.59) UPP1HPGDLGALS9LGALS1LGALS3
SCHEMBL20142235 0.89 UPP1 (0.56) UPP1RNASE1NPC1ALDH1A1
SCHEMBL20804632 0.89 UPP1 (0.56) UPP1RNASE1NPC1ALDH1A1

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-RE29835-E PHARMACEUTICAL ICN PHARMACEUTICALS (US) 1978-11-14 US disclosed