SCHEMBL6449161

SCHEMBL6449161

CC/C=C(\C(=O)O)N(CCCCCC)CCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.44
ZDHHC20 Q5W0Z9 2/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
CA2 P00918 1/20 0.41
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
MGLL Q99685 1/20 0.38
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 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
SCHEMBL6449855 1.00 EP300 (0.44) EP300ZDHHC20ZDHHC2CA12CA1
SCHEMBL6157470 0.92 CA12 (0.45) EP300ZDHHC20ZDHHC2CA12CA1
SCHEMBL5691846 0.87 EP300 (0.47) EP300ZDHHC20ZDHHC2CA12CA1
SCHEMBL8415797 0.87 EP300 (0.47) EP300ZDHHC20ZDHHC2CA12CA1
SCHEMBL2013216 0.84 CA12 (0.41) EP300CA12CA1CA9CA2
SCHEMBL6449250 0.84 FAAH (0.42) EP300ZDHHC20ZDHHC2CA12CA1
SCHEMBL2127064 0.79 CA12 (0.44) EP300ZDHHC20ZDHHC2CA12CA1
SCHEMBL6449068 0.79 EP300 (0.46) EP300ZDHHC20CA12CA1CA9
SCHEMBL5690085 0.79 KDM4C (0.35)
SCHEMBL127511 0.76 LMNA (0.36) EP300CA12CA1CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509568-A1 RUBBER MIXTURES CONTAINING QUATERNARY POLYMERS AND POLAR SOFTENING AGENTS Lanxess Deutschland GmbH (DE) 2005-03-02 EP disclosed
WO-2003099921-A1 RUBBER MIXTURES CONTAINING QUATERNARY POLYMERS AND POLAR SOFTENING AGENTS LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 WO disclosed
US-20020120086-A1 Quaternary polymers with functional amine groups field of the invention BAYER AKTIENGESELLSCHAFT (DE) 2002-08-29 US disclosed
WO-2002020632-A1 QUATERNARY POLYMERS WITH FUNCTIONAL AMINE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2002-03-14 WO disclosed
US-5907001-A Process for the preparation of photopatternable polymers XEROX CORPORATION (US) 1999-05-25 US disclosed