SCHEMBL11267231

SCHEMBL11267231

CC(=O)/C(=C\N(C)C)C(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
SRD5A2 P31213 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP11B1 P15538 3/20 0.41
CYP11B2 P19099 3/20 0.41
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL11267238 1.00 HDAC1 (0.43) HDAC1ALDH1A1KMT2AMEN1HTT
SCHEMBL7381899 0.81 CES2 (0.52) ALDH1A1KMT2AMEN1HTTHIF1A
SCHEMBL11345879 0.80 CES2 (0.50) ALDH1A1KMT2AHIF1AMAPTCYP11B1
SCHEMBL7381695 0.80 MAPT (0.41) ALDH1A1KMT2AMEN1HIF1AMAPT
SCHEMBL9475635 0.80 CYP11B1 (0.58) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL11345881 0.80 CES2 (0.50) ALDH1A1KMT2AHIF1AMAPTCYP11B1
SCHEMBL5318227 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HIF1AMAPT
SCHEMBL7383383 0.80 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HIF1AMAPT
SCHEMBL7377209 0.77 CYP11B1 (0.57) ALDH1A1KMT2AMAPTHPGDCYP11B1
SCHEMBL10808087 0.77 HTT (0.49) ALDH1A1KMT2AMEN1HTTHIF1A

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
US-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 US disclosed