SCHEMBL1592995

SCHEMBL1592995

O=C(CCS)OCC(COC(=O)CCS)COC(=O)CCS

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 1/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ACE P12821 2/20 0.34
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PRKCA P17252 3/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCD Q05655 1/20 0.32
ADRA2A P08913 1/20 0.30
ADRA1A P35348 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
SCHEMBL1424633 0.85 CYP3A4 (0.41) CYP3A4TSHRATMTDP1MAPT
SCHEMBL996843 0.83 KDM4E (0.44) MAPTLMNAKDM4EDUSP3MEN1
SCHEMBL29930756 0.81 MAPT (0.41) CYP3A4TSHRATMTDP1MAPT
SCHEMBL6738675 0.81 TSHR (0.43) CYP3A4TSHRATMTDP1MAPT
SCHEMBL2127406 0.79 MAPT (0.58) CYP3A4TSHRATMTDP1MAPT
SCHEMBL331859 0.79 LMNA (0.33) CYP3A4TSHRATMTDP1MAPT
SCHEMBL15247766 0.79 ALDH1A1 (0.39) CYP3A4TSHRATMTDP1MAPT
SCHEMBL99261 0.79 ALDH1A1 (0.56) LMNAALDH1A1ACEPRKCAPRKCE
SCHEMBL17938161 0.79 ALDH1A1 (0.39) CYP3A4TSHRATMTDP1MAPT
SCHEMBL1593724 0.79 TSHR (0.43) CYP3A4TSHRATMTDP1

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-9122152-B2 Patterning process and resist composition SHIN-ETSU CHEMICALS CO., LTD. (JP) 2015-09-01 US claimed
US-9152048-B2 Actinic-ray- or radiation-sensitive resin composition and method of forming pattern using the composition FUJIFILM CORPORATION (JP) 2015-10-06 US disclosed
US-9122152-B2 Patterning process and resist composition SHIN-ETSU CHEMICALS CO., LTD. (JP) 2015-09-01 US disclosed
US-20110091809-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE COMPOSITION FUJIFILM CORPORATION (JP) 2011-04-21 US disclosed