SCHEMBL19783667

SCHEMBL19783667

CC(O)CCCCCCCCCC(C)Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.46
TRPA1 O75762 1/20 0.46
SPHK1 Q9NYA1 2/20 0.39
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
CYP2D6 P10635 2/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL8582465 0.85 TRPV1 (0.50) TRPV1TRPA1SPHK1MAPTALDH1A1
SCHEMBL5136481 0.85 TRPV1 (0.50) TRPV1TRPA1SPHK1MAPTALDH1A1
SCHEMBL5014042 0.85 TRPV1 (0.50) TRPV1TRPA1SPHK1MAPTALDH1A1
SCHEMBL4443550 0.85 TRPV1 (0.50) TRPV1TRPA1SPHK1MAPTALDH1A1
SCHEMBL6285447 0.85 TRPV1 (0.50) TRPV1TRPA1SPHK1MAPTALDH1A1
SCHEMBL17002461 0.85 TRPV1 (0.50) TRPV1TRPA1SPHK1MAPTALDH1A1
SCHEMBL7757768 0.85 TRPV1 (0.50) TRPV1TRPA1SPHK1MAPTALDH1A1
SCHEMBL11384575 0.85 TRPV1 (0.50) TRPV1TRPA1SPHK1MAPTALDH1A1
SCHEMBL5136479 0.85 TRPV1 (0.50) TRPV1TRPA1SPHK1MAPTALDH1A1
SCHEMBL30787232 0.85 TRPV1 (0.50) TRPV1TRPA1SPHK1MAPTALDH1A1

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
WO-2018010932-A1 CATALYTIC CARBOXYLATION OF ACTIVATED ALKANES AND/OR OLEFINS FUNDACIÓ INSTITUT CATALÀ D'INVESTIGACIÓ QUÍMICA (ES) 2018-01-18 WO disclosed