SCHEMBL23656013

SCHEMBL23656013

C=CC(=O)CCCCCCCCN(C)C(=O)C=C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
EPHX2 P34913 6/20 0.37
FAAH O00519 1/20 0.36
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL23656352 0.98 TSHR (0.37) ZDHHC20ZDHHC2EPHX2FAAHTSHR
SCHEMBL16776749 0.88 ZDHHC20 (0.44) ZDHHC20ZDHHC2EPHX2FAAHTSHR
SCHEMBL2455781 0.88 ZDHHC20 (0.44) ZDHHC20ZDHHC2EPHX2FAAHTSHR
SCHEMBL16776767 0.86 ZDHHC20 (0.42) ZDHHC20ZDHHC2EPHX2TSHRALDH1A1
SCHEMBL20445770 0.85 EPHX2 (0.51) EPHX2TSHRALDH1A1HDAC11KDM4A
SCHEMBL27677046 0.85 EPHX2 (0.51) EPHX2TSHRALDH1A1HDAC11KDM4A
SCHEMBL14582886 0.83 PAOX (0.41) ZDHHC20ZDHHC2EPHX2FAAHTSHR
SCHEMBL18229077 0.83 EPHX2 (0.49) EPHX2TSHRALDH1A1KDM4AKDM4C
SCHEMBL9815137 0.82 ALDH1A1 (0.46) FAAHTSHRALDH1A1KDM4AKDM4C
SCHEMBL14341773 0.82 ZDHHC20 (0.38) ZDHHC20ZDHHC2EPHX2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3851465-A1 MODIFIED CONJUGATED DIENE-BASED POLYMER, METHOD FOR PRODUCING SAME, AND RUBBER COMPOSITION COMPRISING SAME LG Chem, Ltd. (KR) 2021-07-21 EP disclosed