SCHEMBL23656352

SCHEMBL23656352

C=CC(=O)CCCCN(C)C(=O)C=C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 6/20 0.35
FAAH O00519 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MAPT P10636 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL23656013 0.98 ZDHHC20 (0.38) TSHRALDH1A1ZDHHC20ZDHHC2SMN1; SMN2
SCHEMBL16776767 0.88 ZDHHC20 (0.42) TSHRALDH1A1ZDHHC20ZDHHC2EPHX2
SCHEMBL2455781 0.86 ZDHHC20 (0.44) TSHRALDH1A1ZDHHC20ZDHHC2EPHX2
SCHEMBL16776749 0.86 ZDHHC20 (0.44) TSHRALDH1A1ZDHHC20ZDHHC2EPHX2
SCHEMBL14582886 0.85 PAOX (0.41) TSHRALDH1A1ZDHHC20ZDHHC2SMN1; SMN2
SCHEMBL18229077 0.85 EPHX2 (0.49) TSHRALDH1A1EPHX2MAPT
SCHEMBL14341773 0.83 ZDHHC20 (0.38) TSHRALDH1A1ZDHHC20ZDHHC2EPHX2
SCHEMBL20445770 0.83 EPHX2 (0.51) TSHRALDH1A1EPHX2HDAC11MAPT
SCHEMBL27677046 0.83 EPHX2 (0.51) TSHRALDH1A1EPHX2HDAC11MAPT
SCHEMBL29072319 0.82 KDM4A (0.43) TSHRALDH1A1SMN1; SMN2FAAH

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