SCHEMBL5131576

SCHEMBL5131576

CCN(CC)C(=O)OB(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 3/20 0.40
TSPO P30536 1/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL1789520 0.80 PKM (0.42) KMT2AL3MBTL1TSHRALDH1A1NPC1
SCHEMBL4508305 0.77 ELANE (0.42) LMNAL3MBTL1TSHRALDH1A1MAPT
SCHEMBL2761569 0.76 CA4 (0.34) MEN1KMT2AL3MBTL1TSHRALDH1A1
SCHEMBL20269159 0.76 NPC1 (0.51) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL1237692 0.74 TSHR (0.44) MEN1KMT2ALMNAL3MBTL1TSHR
SCHEMBL651370 0.74 ORAI1 (0.42) TSHRHSD17B10ALDH1A1HPGDMAPT
SCHEMBL1672441 0.73 ORAI1 (0.46) LMNAL3MBTL1TSHRALDH1A1
SCHEMBL28664851 0.71 TRPV6 (0.44) LMNAL3MBTL1TSHRALDH1A1
SCHEMBL5623546 0.71 MEN1 (0.81) MEN1KMT2ALMNAL3MBTL1TSHR
SCHEMBL28824873 0.71 PCSK9 (0.41) LMNAL3MBTL1TSHRALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4280882-A2 MATERIALS AND METHODS FOR EXTENDING SHELF-LIFE OF FOODS JP LABORATORIES, INC. (US) 2023-11-29 EP claimed
EP-1675847-A4 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORP (US) 2008-08-20 EP disclosed
EP-1675847-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE Adolor Corporation (US) 2006-07-05 EP disclosed
WO-2005033073-A2 SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-04-14 WO disclosed