SCHEMBL162618

SCHEMBL162618

CCC(=C(CC(=O)O)C(=O)O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.37
FFAR3 O14843 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
EPHX1 P07099 1/20 0.34
HSD11B1 P28845 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL16879331 0.92 NAAA (0.33) NAAAFFAR3CES2CES1HDAC8
SCHEMBL6518902 0.88 NAAA (0.34) NAAAFFAR3CES2CES1HDAC8
SCHEMBL6519420 0.82 CES2 (0.35) NAAACES2CES1HDAC8HDAC6
SCHEMBL6515967 0.82 CES2 (0.35) NAAACES2CES1HDAC8HDAC6
SCHEMBL6514901 0.82 SMN1; SMN2 (0.33) NAAACES2CES1HDAC8HDAC6
SCHEMBL6520868 0.81 ALDH1A1 (0.40) ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6519783 0.80 HDAC8 (0.32) CES2CES1HDAC8HDAC6EPHX1
SCHEMBL6519507 0.79 EPHX2 (0.35) TSHRSMN1; SMN2HSD17B10
SCHEMBL6518207 0.78 NAAA (0.34) NAAAFFAR3CES2CES1HDAC8
SCHEMBL9354742 0.78 CES2 (0.38) NAAACES2CES1HDAC8HDAC6

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 136 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145921-B1 Vulcanizable polymer compositions ARLANXEO DEUTSCHLAND GMBH (DE) 2017-01-25 EP claimed
EP-2199326-B1 Vulcanizable polymer compositions LANXESS DEUTSCHLAND GMBH (DE) 2014-10-29 EP claimed
WO-2025047819-A1 AQUEOUS DISPERSION OF NITRILE RUBBER PARTICLES 日本ゼオン株式会社 2025-03-06 WO disclosed
WO-2025028232-A1 CROSSLINKABLE RUBBER COMPOSITION, CROSSLINKED RUBBER OBJECT, AND SEALING MATERIAL 日本ゼオン株式会社 2025-02-06 WO disclosed
WO-2025009411-A1 NITRILE RUBBER COMPOSITION AND CROSSLINKED MOLDED BODY 日本ゼオン株式会社 2025-01-09 WO disclosed
EP-3728355-B1 NITRILE DIENE CARBOXYLIC ACID ESTER COPOLYMERS ARLANXEO DEUTSCHLAND GMBH (DE) 2022-04-20 EP disclosed
EP-3668922-B1 VULCANISABLE COMPOSITIONS CONTAINING HYDROGENATED NITRILE RUBBER, VULCANIZATES PREPARED FROM SAME AND THEIR USE ARLANXEO DEUTSCHLAND GMBH (DE) 2022-03-16 EP disclosed
EP-3720885-B1 METHOD FOR PRODUCING NITRILE RUBBERS WITH RUTHENIUM COMPLEX CATALYSTS ARLANXEO DEUTSCHLAND GMBH (DE) 2021-12-01 EP disclosed
EP-3533826-B1 CROSSLINKABLE RUBBER COMPOSITION, RUBBER CROSSLINKED PRODUCT, AND COMPOSITE ZEON CORP (JP) 2021-10-06 EP disclosed
US-10865293-B2 Cross-linkable rubber composition, rubber crosslinked product, and complex ZEON CORPORATION (JP) 2020-12-15 US disclosed
EP-3728452-A1 VULCANIZED HNBR PRODUCT WITH IMPROVED HOT AIR RESISTANCE ARLANXEO Deutschland GmbH (DE) 2020-10-28 EP disclosed
EP-2325238-A1 Stable fine-particle suspensions of functionalised, wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-25 EP disclosed
EP-2325237-A1 Stable fine-particle suspensions of functionalised, wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-25 EP disclosed
EP-2316861-A1 Nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-04 EP disclosed
EP-2316860-A1 Nitrile rubbers LANXESS Deutschland GmbH (DE) 2011-05-04 EP disclosed
EP-2298824-A1 Nitrile rubbers and production of same in organic solvents LANXESS Deutschland GmbH (DE) 2011-03-23 EP disclosed
EP-2289987-A1 Vulcanizable blend and its use for reparing rubberbased molded articles LANXESS Deutschland GmbH (DE) 2011-03-02 EP disclosed
EP-2267037-A1 Use of wholly or partially hydrated nitrile rubbers LANXESS Deutschland GmbH (DE) 2010-12-29 EP disclosed
US-20100168302-A1 Crosslinkable Rubber Composition and Cross-Linked Rubber ZEON CORPORATION (JP) 2010-07-01 US disclosed
EP-1964882-A1 CROSSLINKABLE RUBBER COMPOSITION AND RUBBER CROSSLINKED PRODUCT ZEON CORPORATION (JP) 2008-09-03 EP disclosed