SCHEMBL997295

SCHEMBL997295

O=C(O)C(S)c1ccc(C(S)C(=O)O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 4/20 0.40
HSD17B10 Q99714 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
CYP2C9 P11712 3/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ABCB11 O95342 1/20 0.40
F2 P00734 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL991240 0.90 SRC (0.50) SRCCYP2D6LMNAHSD17B10TDP1
SCHEMBL74366 0.89 SRC (0.56) SRCCYP2D6LMNATDP1MAPK1
SCHEMBL7823663 0.88 ALDH1A1 (0.44) LMNAALDH1A1MAPTALOX5
SCHEMBL11259540 0.88 HDAC3 (0.45) LMNAHPGDALDH1A1MME
SCHEMBL28474964 0.88 LDHA (0.45) MEN1KMT2AMMECYP2C19ALOX5
SCHEMBL9835478 0.88 CYP2C9 (0.46) CYP2D6LMNAHSD17B10CYP2C9MEN1
SCHEMBL7402774 0.88 ALDH1A1 (0.44) LMNAALDH1A1MAPTALOX5
SCHEMBL9577384 0.88 TDP1 (0.41) SRCCYP2D6HSD17B10TDP1CYP2C9
Hydrochloric Acid SCHEMBL8340022 0.87 SRC (0.54) SRCCYP2D6LMNATDP1MAPK1
SCHEMBL10824165 0.86 PTGS2 (0.59) CYP2D6CYP2C9MAPTPTGS2MME

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