SCHEMBL8347290

SCHEMBL8347290

O=C(O)[C@H]1C[C@@H](OCc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
AGTR2 P50052 2/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 1/20 0.48
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
S1PR5 Q9H228 1/20 0.46
EPHX2 P34913 1/20 0.45
PDPK1 O15530 1/20 0.44
MTOR P42345 1/20 0.44
NAAA Q02083 2/20 0.43
BCHE P06276 1/20 0.42
DPP4 P27487 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRL1 P41146 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL582677 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL871908 1.00 NPC1 (0.49) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL8352380 0.88 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL1588250 0.88 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL8353490 0.88 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL12017809 0.86 ALDH1A1 (0.49) AGTR2ALDH1A1CTSLCTSBCTSK
SCHEMBL29224887 0.86 CYP2C19 (0.51) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL26919961 0.86 AGTR2 (0.48) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL402536 0.85 AGTR2 (0.49) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1
SCHEMBL21811816 0.85 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2AGTR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021050612-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS CIDARA THERAPEUTICS, INC. (US) 2021-03-18 WO disclosed
US-6001841-A ANTISENSE DIAGNOSTICS, THERAPEUTICS AND RESEARCH REAGENTS. ISIS PHARMACEUTICALS, INC. (US) 1999-12-14 US disclosed
EP-0352013-B1 Hydroxymethyl cyclobutyl purines SQUIBB & SONS INC (US) 1996-05-01 EP disclosed
EP-0689460-A1 CYCLOBUTYL ANTISENSE OLIGONUCLEOTIDES, METHODS OF MAKING AND USE THEREOF ISIS PHARMACEUTICALS, INC. (US) 1996-01-03 EP disclosed
US-5369098-A Viricides E. R. SQUIBB & SONS, INC. (US) 1994-11-29 US disclosed
US-5359044-A Diagnosis, chemical intermediates ISIS PHARMACEUTICALS (US) 1994-10-25 US disclosed
WO-1994019023-A1 CYCLOBUTYL ANTISENSE OLIGONUCLEOTIDES, METHODS OF MAKING AND USE THEREOF ISIS PHARMACEUTICALS, INC. (US) 1994-09-01 WO disclosed
EP-0352013-A2 Hydroxymethyl cyclobutyl purines E.R. Squibb & Sons, Inc. (US) 1990-01-24 EP disclosed