SCHEMBL28820697

SCHEMBL28820697

CC=C(C)NC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
GAA P10253 3/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 4/20 0.52
NPC1 O15118 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GLA P06280 1/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC3 O15379 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
IDO1 P14902 1/20 0.50
ALOX15 P16050 1/20 0.50
HDAC1 Q13547 1/20 0.50
CA9 Q16790 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL28243630 0.84 ALDH1A1 (0.50) ALDH1A1GAAKDM4ERAB9ANPC1
SCHEMBL11532039 0.82 ALDH1A1 (0.49) ALDH1A1GAAKDM4ERAB9ANPC1
SCHEMBL19264345 0.81 ALDH1A1 (0.51) ALDH1A1GAAKDM4ERAB9ANPC1
SCHEMBL19100020 0.80 ALDH1A1 (0.58) ALDH1A1GAAKDM4ERAB9ANPC1
SCHEMBL863064 0.80 ALDH1A1 (0.63) ALDH1A1GAAKDM4ERAB9ANPC1
SCHEMBL76489 0.79 ALDH1A1 (0.67) ALDH1A1GAAKDM4ERAB9ANPC1
SCHEMBL2858479 0.79 ALDH1A1 (0.52) ALDH1A1GAAKDM4ERAB9ANPC1
SCHEMBL2858481 0.79 ALDH1A1 (0.52) ALDH1A1GAAKDM4ERAB9ANPC1
SCHEMBL14313666 0.78 NPC1 (0.54) ALDH1A1KDM4ERAB9ANPC1MEN1
SCHEMBL9750169 0.78 ALDH1A1 (0.50) ALDH1A1GAAKDM4ERAB9ANPC1

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
CN-114907514-A Multifunctional fiber and preparation method and application thereof 北京洁尔爽高科技有限公司 2022-08-16 CN disclosed