SCHEMBL9150544

SCHEMBL9150544

CC(C)NC(=O)CCCCCCCCC(C)(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.63
MEN1 O00255 1/20 0.63
MAPK1 P28482 1/20 0.63
KMT2A Q03164 1/20 0.63
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 1/20 0.40
DNM1 Q05193 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
PLA2G10 O15496 1/20 0.37
HPGD P15428 1/20 0.37
NLRP1 Q9C000 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NOD1 Q9Y239 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
ASAH2 Q9NR71 1/20 0.36

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
SCHEMBL9738234 1.00 FAAH (0.63) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL9158547 1.00 FAAH (0.63) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL18541216 0.92 MEN1 (0.57) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL24294481 0.90 FAAH (0.53) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL12934924 0.85 FAAH (0.83) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL12934928 0.85 FAAH (0.83) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL12934930 0.85 FAAH (0.83) FAAHMEN1MAPK1KMT2AEPHX2
SCHEMBL21536797 0.85 FAAH (0.46) FAAHMEN1MAPK1KMT2AALDH1A1
SCHEMBL20644804 0.85 FAAH (0.46) FAAHMEN1MAPK1KMT2AALDH1A1
SCHEMBL17231647 0.85 FAAH (0.46) FAAHMEN1MAPK1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434189-A Effective against cockroaches, nontoxic COLGATE-PALMOLIVE CO. (US) 1995-07-18 US disclosed
US-5015665-A Amides as insect repellants safe to humans and animals COLGATE-PALMOLIVE CO. (US) 1991-05-14 US disclosed
US-4804683-A REPELLING COCKROACHES COLGATE-PALMOLIVE COMPANY (US) 1989-02-14 US disclosed