SCHEMBL11552102

SCHEMBL11552102

CCCCCCCC/C=C\CCCCCCCCNCC(C)NCCO

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 1/20 0.44
CNR1 P21554 4/20 0.44
HPGD P15428 2/20 0.43
CNR2 P34972 2/20 0.43
TRPV1 Q8NER1 2/20 0.43
MEN1 O00255 2/20 0.43
BLM P54132 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
FAAH O00519 1/20 0.41
KCNK3 O14649 1/20 0.41

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
SCHEMBL11555692 1.00 ALDH1A1 (0.44) ALDH1A1KDM4ECNR1HPGDCNR2
SCHEMBL11557215 0.91 ANPEP (0.45) ALDH1A1MEN1KMT2A
SCHEMBL11555083 0.91 ANPEP (0.45) ALDH1A1MEN1KMT2A
SCHEMBL11551537 0.91 ANPEP (0.45) ALDH1A1MEN1KMT2A
SCHEMBL11549928 0.91 ANPEP (0.45) ALDH1A1MEN1KMT2A
SCHEMBL11555809 0.91 ANPEP (0.45) ALDH1A1MEN1KMT2A
SCHEMBL340274 0.82 PPARA (0.43) ALDH1A1KDM4ETRPV1MEN1KMT2A
SCHEMBL11553635 0.81 FAAH (0.38) ALDH1A1KDM4ETRPV1FAAH
SCHEMBL4822214 0.81 PPARA (0.42) ALDH1A1KDM4ETRPV1MEN1KMT2A
SCHEMBL341704 0.81 PPARA (0.42) ALDH1A1KDM4ETRPV1MEN1KMT2A

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
US-4162998-A AMINE CURING AGENT CONTAINING ONLY TWO ACTIVE HYDROGENS, PAVING FOR REPARI WORK KAO SOAP CO., LTD. (JP) 1979-07-31 US disclosed