SCHEMBL996829

SCHEMBL996829

O=C(O)CSC1CCCC(SCC(=O)O)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPK1 P28482 2/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.32
RAB9A P51151 3/20 0.31
HTT P42858 2/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL3706423 0.86 KMT2A (0.43) ALDH1A1CYP2D6CYP2C19HIF1AMAPK1
SCHEMBL24564744 0.84 KMT2A (0.46) ALDH1A1CYP2D6CYP2C19HIF1AMAPK1
SCHEMBL1200818 0.84 KMT2A (0.46) ALDH1A1CYP2D6CYP2C19HIF1AMAPK1
SCHEMBL31631322 0.80
SCHEMBL997207 0.80 CYP2D6 (0.43) ALDH1A1CYP2D6CYP2C19HIF1AMAPK1
SCHEMBL17548382 0.76 CYP2D6 (0.46) ALDH1A1CYP2D6CYP2C19HIF1AL3MBTL1
SCHEMBL17964218 0.74 SLC6A1 (0.46) CYP2D6KMT2ATSHRSMN1; SMN2
SCHEMBL17964219 0.74 SLC6A1 (0.46) CYP2D6KMT2ATSHRSMN1; SMN2
SCHEMBL22267426 0.71 ALDH1A1 (0.35) ALDH1A1MAPK1ALOX15KMT2AHTT
SCHEMBL126839 0.70 CYP2D6 (0.43) ALDH1A1CYP2D6CYP2C19HIF1AL3MBTL1

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
US-10040947-B2 Primer composition MITSUI CHEMICALS, INC. (JP) 2018-08-07 US disclosed
EP-2258780-B1 PRIMER COMPOSITION MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
US-20110014483-A1 PRIMER COMPOSITION MITSUI CHEMICALS, INC. 2011-01-20 US disclosed
EP-2258780-A1 PRIMER COMPOSITION Mitsui Chemicals, Inc. (JP) 2010-12-08 EP disclosed