SCHEMBL997207

SCHEMBL997207

O=C(O)CSC1CCC(SCC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 6/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
PKM P14618 1/20 0.33
PHGDH O43175 1/20 0.33
KMT2A Q03164 1/20 0.33
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 2/20 0.31
FFAR1 O14842 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL31631322 1.00
SCHEMBL3706423 0.90 KMT2A (0.43) CYP2D6CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL24564744 0.87 KMT2A (0.46) CYP2D6CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL1200818 0.87 KMT2A (0.46) CYP2D6CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL996829 0.80 ALDH1A1 (0.38) CYP2D6CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL2418029 0.79 HSD17B10 (0.42) CYP2D6CYP2C19HIF1AALDH1A1ALOX15
SCHEMBL126839 0.78 CYP2D6 (0.43) CYP2D6CYP2C19HIF1AALDH1A1L3MBTL1
SCHEMBL12589530 0.77
SCHEMBL17274238 0.77
SCHEMBL7835313 0.75 CYP2D6 (0.32) CYP2D6CYP2C19HIF1A

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