SCHEMBL28312972

SCHEMBL28312972

CCCCCCC(C)C(C#N)C(CC(=O)OCC)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.35
FAAH O00519 5/20 0.34
MAPT P10636 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
LMNA P02545 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMPD1 P17405 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
SCHEMBL13278516 0.86 ZDHHC7 (0.40) ZDHHC7FAAHMAPTGPR84LMNA
SCHEMBL28284650 0.82 KMT2A (0.32) ZDHHC7FAAHMAPTGPR84LMNA
SCHEMBL28875575 0.81 ZDHHC7 (0.36) ZDHHC7FAAHMAPTGPR84LMNA
SCHEMBL28139002 0.79 CA1 (0.34) ZDHHC7FAAHMAPTLMNACNR1
SCHEMBL27971787 0.79 ACE2 (0.44) ZDHHC7FAAHMAPTGPR84LMNA
SCHEMBL27971922 0.79 ACE2 (0.44) ZDHHC7FAAHMAPTGPR84LMNA
SCHEMBL27971790 0.79 ACE2 (0.44) ZDHHC7FAAHMAPTGPR84LMNA
SCHEMBL8745342 0.78 ZDHHC7 (0.41) ZDHHC7FAAHMAPTGPR84KMT2A
SCHEMBL28262579 0.78 BIRC2 (0.36) ZDHHC7FAAHMAPTGPR84LMNA
SCHEMBL28284670 0.77 ALDH1A1 (0.36) MAPTLMNAKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106608935-B Catalytic component, catalyst and its application for olefinic polymerization 中国石油化工股份有限公司 2019-07-19 CN claimed
CN-106608935-B Catalytic component, catalyst and its application for olefinic polymerization 中国石油化工股份有限公司 2019-07-19 CN disclosed