SCHEMBL27745487

SCHEMBL27745487

CC(C)(C)CC(=O)ON=C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 6/20 0.44
MIF P14174 1/20 0.44
MAPT P10636 2/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 2/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TNF P01375 1/20 0.40
KLF5 Q13887 1/20 0.40
NOD1 Q9Y239 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL15969360 0.81 ELANE (0.49) SMN1; SMN2ALDH1A1KMT2AMAPTMAPK1
SCHEMBL15969657 0.78 CES2 (0.49) LMNARAB9AALDH1A1KMT2AMAPT
SCHEMBL22125723 0.77 ALDH1A1 (0.44) SMN1; SMN2RAB9AALDH1A1KMT2AMAPT
SCHEMBL24961282 0.77 POLB (0.49) SMN1; SMN2ALDH1A1KMT2AMAPTMAPK1
SCHEMBL10903705 0.76 L3MBTL1 (0.59) SMN1; SMN2NPC1TP53ALDH1A1KMT2A
SCHEMBL11963886 0.75 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1KMT2AMAPTMAPK1
SCHEMBL11321880 0.75 AAK1 (0.46) SMN1; SMN2ALDH1A1KMT2AMAPTMAPK1
SCHEMBL213829 0.74 ALDH1A1 (0.51) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL38664774 0.74 ALDH1A1 (0.46) LMNASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27576040 0.74 TDP1 (0.50) LMNANPC1TP53RAB9AALDH1A1

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
CN-102946882-A Phenylalanine derivatives and their use as non-peptide glp-1 receptor modulators ARGUSINA INC 2013-02-27 CN disclosed
CN-101267813-A Substituted propanamide derivative and pharmaceutical composition containing the same DAIICHI SANKYO CO LTD (JP) 2008-09-17 CN disclosed