SCHEMBL22719950

SCHEMBL22719950

COC(=O)c1ncc(COc2ccc(C(F)(F)F)cc2)c2c1OC(C)(C)OC2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
PPARD Q03181 4/20 0.36
MAPT P10636 1/20 0.36
SMPD1 P17405 1/20 0.36
MRGPRX4 Q96LA9 2/20 0.35
RXRA P19793 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A5 Q9Y345 1/20 0.34

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
SCHEMBL1503189 0.89 KMT2A (0.40) MAOBALDH1A1MAPK1KMT2AMAPT
SCHEMBL30193078 0.89 KMT2A (0.40) MAOBALDH1A1MAPK1KMT2AMAPT
SCHEMBL22719906 0.86 FRK (0.42) ALDH1A1MAPK1KMT2AMAPT
SCHEMBL1503147 0.82 ALDH1A1 (0.39) MAOBALDH1A1MAPK1KMT2A
SCHEMBL12398991 0.80 KMT2A (0.48) MAOBALDH1A1MAPK1KMT2ALMNA
SCHEMBL1503248 0.80 ALDH1A1 (0.39) MAOBALDH1A1MAPK1KMT2AMAPT
SCHEMBL22719912 0.80 KMT2A (0.39) MAOBALDH1A1MAPK1KMT2ALMNA
SCHEMBL1503150 0.79 KMT2A (0.47) MAOBALDH1A1MAPK1KMT2AMAPT
SCHEMBL22719914 0.79 KMT2A (0.43) MAOBALDH1A1MAPK1KMT2AMAPT
SCHEMBL22719947 0.77 LMNA (0.46) ALDH1A1MAPK1KMT2ALMNANPC1

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
WO-2020237374-A1 PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2020-12-03 WO disclosed
WO-2020237374-A1 PICOLINIC ACID DERIVATIVES AND USE THEREOF FOR TREATING DISEASES ASSOCIATED WITH ELEVATED CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2020-12-03 WO disclosed