SCHEMBL20530262

SCHEMBL20530262

O=C(O)/C(=C(\C(=O)O)C1CCCCCC1)C1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD11B1 P28845 2/20 0.39
HPGD P15428 1/20 0.39
EPHX1 P07099 5/20 0.38
RECQL P46063 1/20 0.38
SRD5A2 P31213 1/20 0.38
HSD11B2 P80365 1/20 0.37
NAAA Q02083 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9860218 1.00 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL1398377 1.00 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8334388 1.00 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL184066 1.00 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9860216 1.00 CES2 (0.55) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5612656 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL9709409 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL5612649 0.97 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL304440 0.94 CES2 (0.48) CES2CES1HDAC8HDAC6TSHR
SCHEMBL304438 0.94 CES2 (0.48) CES2CES1HDAC8HDAC6TSHR

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
EP-3387931-B1 VULCANIZABLE COMPOSITION COMPRISING HXNBR LATEX AND POLYFUNCTIONAL EPOXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2020-07-15 EP disclosed
WO-2018188966-A1 VULCANIZABLE COMPOSITION CONTAINING HXNBR LATEX AND POLYFUNCTIONAL EPOXIDE ARLANXEO DEUTSCHLAND GMBH (DE) 2018-10-18 WO disclosed
EP-3387931-A1 VULCANIZABLE COMPOSITION COMPRISING HXNBR LATEX AND POLYFUNCTIONAL EPOXIDE ARLANXEO Deutschland GmbH (DE) 2018-10-17 EP disclosed