SCHEMBL19781296

SCHEMBL19781296

CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NO

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 1/20 0.59
LMNA P02545 1/20 0.59
HTT P42858 2/20 0.57
HSPA5 P11021 1/20 0.57
HSPA9 P38646 1/20 0.57
ADAM17 P78536 1/20 0.56
PPARG P37231 1/20 0.56
HDAC1 Q13547 2/20 0.54
HDAC3 O15379 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
IDO1 P14902 1/20 0.52
ALOX15 P16050 1/20 0.52
CA9 Q16790 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL7417071 1.00 KMT2A (0.64) KMT2AALDH1A1MEN1LMNAHTT
SCHEMBL14195921 0.91 NPC1 (0.55) KMT2AALDH1A1MEN1LMNAADAM17
SCHEMBL404406 0.91 NPC1 (0.55) KMT2AALDH1A1MEN1LMNAADAM17
SCHEMBL5445989 0.88 ADAM17 (0.52) KMT2AALDH1A1ADAM17HDAC1HDAC3
SCHEMBL1912090 0.88 PPARG (0.58) KMT2AALDH1A1MEN1LMNAPPARG
SCHEMBL399472 0.88 ADAM17 (0.52) KMT2AALDH1A1ADAM17HDAC1HDAC3
SCHEMBL1105659 0.88 HDAC1 (0.59) KMT2AALDH1A1MEN1LMNAHTT
SCHEMBL7677634 0.85 ALDH1A1 (0.62) KMT2AALDH1A1MEN1LMNAHTT
SCHEMBL7677630 0.85 ALDH1A1 (0.62) KMT2AALDH1A1MEN1LMNAHTT
SCHEMBL1168553 0.84 SLC1A2 (0.66) KMT2AALDH1A1MEN1LMNAHTT

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-2018011230-A1 PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA AGONISTS, METHOD OF PREPARATION AND USES THEREOF UNIVERSITE D'AIX-MARSEILLE (FR) 2018-01-18 WO disclosed