SCHEMBL10529152

SCHEMBL10529152

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCO

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.71
ALDH1A1 P00352 2/20 0.71
HPGD P15428 2/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
TRPV1 Q8NER1 1/20 0.71
MAPT P10636 1/20 0.71
ALOX12 P18054 1/20 0.71
BLM P54132 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
EPHX2 P34913 2/20 0.69
SLC6A5 Q9Y345 2/20 0.67
FAAH O00519 2/20 0.66
HRH3 Q9Y5N1 1/20 0.66

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
SCHEMBL11133790 1.00 CNR1 (0.71) CNR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL18116761 1.00 CNR1 (0.71) CNR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL11133794 1.00 CNR1 (0.71) CNR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL11364852 0.95 CNR1 (0.80) CNR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL226194 0.90 FAAH (0.72) CNR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL10383989 0.90 FAAH (0.72) CNR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL9243835 0.90 FAAH (0.72) CNR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL29549925 0.90 FAAH (0.72) CNR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL426242 0.90 FAAH (0.72) CNR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL11365831 0.90 FAAH (0.72) CNR1ALDH1A1HPGDMEN1KMT2A

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
EP-0122552-B1 AQUEOUS POLYURETHANE COMPOSITIONS CONTAINING A CROSS-LINKER, AND THEIR USE IN THERMO-ACTIVE ONE-LAYER TRANSFER COATING BAYER AG (DE) 1989-10-18 EP disclosed
EP-0122552-A2 Aqueous polyurethane compositions containing a cross-linker, and their use in thermo-active one-layer transfer coating BAYER AG (DE) 1984-10-24 EP disclosed