SCHEMBL21102002

SCHEMBL21102002

CC(=O)Cc1ccc(=O)[nH]c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP14 Q460N5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.35
TRPV6 Q9H1D0 1/20 0.35
DAO P14920 1/20 0.34
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL1972884 0.82 CA2 (0.48) METPOLBLMNAGAAALDH1A1
SCHEMBL5739617 0.79 CYP4F2 (0.51) METPOLBLMNAGAASMN1; SMN2
SCHEMBL20751417 0.77 PKM (0.47) METLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL1196047 0.76 KMT2A (0.51) POLBLMNAGAASMN1; SMN2ALDH1A1
SCHEMBL8403545 0.75 POLB (0.61) POLBLMNAGAAALDH1A1KMT2A
SCHEMBL5291483 0.74 SLC7A5 (0.56) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL1160586 0.74
SCHEMBL12844536 0.71 GPR84 (0.42) LMNAALDH1A1MEN1KMT2ATRPV6
SCHEMBL8225225 0.71
SCHEMBL7657773 0.71 ALDH2 (0.40) POLBALDH1A1L3MBTL1

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-2019111225-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF NON‑ALCOHOLIC STEATOHEPATITIS AVALIV THERAPEUTICS (US) 2019-06-13 WO disclosed