SCHEMBL9185142

SCHEMBL9185142

CC(CC(O)CNc1ccccc1C(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 4/20 0.46
RAB9A P51151 2/20 0.46
AGTR1 P30556 1/20 0.46
NPC1 O15118 1/20 0.44
POLB P06746 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 2/20 0.42
KDM4C Q9H3R0 2/20 0.42
MEN1 O00255 1/20 0.42
KDM6B O15054 1/20 0.42
TRPA1 O75762 2/20 0.41
CLCN2 P51788 1/20 0.40
PLK1 P53350 1/20 0.40
APAF1 O14727 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
SCHEMBL8984846 0.81 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL9184823 0.80 KMT2A (0.50) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL2189096 0.79 ALDH1A1 (0.54) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL1899470 0.79 KDM6B (0.62) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL28486884 0.78 HPGD (0.50) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL28997856 0.75 HPGD (0.53) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL9181580 0.72 HPGD (0.47) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL11498021 0.71 MTNR1A (0.57) ALDH1A1HPGDHSD17B10KDM4ERAB9A
SCHEMBL3462626 0.71 KMT2A (0.49) ALDH1A1HPGDHSD17B10KDM4ENPC1
SCHEMBL27648054 0.71 PLK1 (0.48) ALDH1A1HPGDHSD17B10KDM4ERAB9A

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
EP-0501031-B1 Perfuming agent FIRMENICH & CIE (CH) 1995-09-06 EP claimed