SCHEMBL4100097

SCHEMBL4100097

CCCCC(OC1CCCCO1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX5 P09917 3/20 0.34
PPARG P37231 3/20 0.34
PTGES O14684 1/20 0.34
PTGS2 P35354 1/20 0.34
PSEN1 P49768 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL10518210 0.94 MEN1 (0.38) MEN1KMT2ATP53MAPT
SCHEMBL30989292 0.94 MEN1 (0.38) MEN1KMT2ATP53MAPT
SCHEMBL9044977 0.91 MEN1 (0.36) MEN1KMT2APPARGHPGDSMN1; SMN2
SCHEMBL8064907 0.88 MAPT (0.36) CA2MAPK1MEN1KMT2AALOX5
SCHEMBL29399995 0.87 CA1 (0.36) CA2MEN1KMT2ADPP7NPC1
SCHEMBL3988416 0.86 CA1 (0.40) CA2MEN1KMT2ARAB9A
SCHEMBL1610399 0.85 MEN1 (0.37) MEN1KMT2APPARG
SCHEMBL29870181 0.83 ALDH1A1 (0.34) CA2MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL29870007 0.82 NAAA (0.35) MEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL10704941 0.82 NAAA (0.35) MEN1KMT2ARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240110015-A1 SUPRAMOLECULAR BIOMEDICAL POLYMERS SUPRAPOLIX B.V. (NL) 2024-04-04 US disclosed
US-20090221442-A1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT, INC. (US) 2009-09-03 US disclosed
US-7413536-B1 Substrates and screening methods for transport proteins XENOPORT, INC. (US) 2008-08-19 US disclosed
EP-1212619-B1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT INC (US) 2007-05-23 EP disclosed
EP-1212619-A4 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT INC (US) 2004-12-08 EP disclosed
WO-2001020331-A9 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT INC (US) 2002-10-03 WO disclosed
EP-1212619-A1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS Xenoport, Inc. (US) 2002-06-12 EP disclosed
WO-2001020331-A1 SUBSTRATES AND SCREENING METHODS FOR TRANSPORT PROTEINS XENOPORT, INC. (US) 2001-03-22 WO disclosed
EP-0270234-A2 Renin inhibitors PFIZER INC. (US) 1988-06-08 EP disclosed