SCHEMBL17564705

SCHEMBL17564705

CCCCOC(=O)CCSC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
DGKA P23743 1/20 0.50
NAAA Q02083 1/20 0.46
HTR2C P28335 1/20 0.45
ATM Q13315 1/20 0.42
DNM1 Q05193 1/20 0.42
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 2/20 0.39
ACHE P22303 2/20 0.39
FAAH O00519 1/20 0.39
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL9509262 0.85 ACHE (0.54) ALDH1A1DGKANAAAHTR2CATM
SCHEMBL19914925 0.84 DGKA (0.48) ALDH1A1DGKANAAAHTR2CATM
SCHEMBL12456987 0.82 DGKA (0.55) ALDH1A1DGKANAAAHTR2CATM
SCHEMBL112324 0.82 DGKA (0.55) ALDH1A1DGKANAAAHTR2CATM
SCHEMBL18113192 0.82 ACHE (0.47) ALDH1A1DGKANAAAHTR2CATM
SCHEMBL16173927 0.81 DGKA (0.53) ALDH1A1DGKANAAAHTR2CATM
SCHEMBL26220850 0.81 DGKA (0.53) ALDH1A1DGKANAAAHTR2CATM
SCHEMBL8719563 0.81 MGLL (0.39) DGKAATMDNM1TSHRACHE
SCHEMBL9128807 0.80 CYP1A2 (0.47) ALDH1A1ATMHPGDTSHRMAPT
SCHEMBL18113276 0.80 DGKA (0.44) ALDH1A1DGKANAAAHTR2CATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 US disclosed
WO-2016036847-A1 SYNTHETIC POLYMERS AND METHODS OF MAKING AND USING THE SAME BATTELLE MEMORIAL INSTITUTE (US) 2016-03-10 WO disclosed