SCHEMBL28314136

SCHEMBL28314136

C=CC(=O)OOC.CCCNC(=O)n1c(NC(=O)O)nc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
ALDH1A1 P00352 1/20 0.58
ASAH1 Q13510 7/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 1/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
PDE6D O43924 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL28073618 0.94 TSHR (0.67) TSHRALDH1A1ASAH1MEN1KMT2A
SCHEMBL5570257 0.87 TSHR (0.67) TSHRALDH1A1ASAH1MEN1KMT2A
SCHEMBL6926893 0.80 TSHR (0.79) TSHRALDH1A1ASAH1MEN1KMT2A
SCHEMBL205803 0.80 TSHR (0.87) TSHRALDH1A1ASAH1MEN1KMT2A
SCHEMBL203352 0.75 TSHR (0.70) TSHRALDH1A1ASAH1MEN1KMT2A
SCHEMBL203353 0.74 TSHR (0.69) TSHRALDH1A1ASAH1MEN1KMT2A
Benomyl SCHEMBL29379464 0.74 TSHR (1.00) TSHRALDH1A1ASAH1MEN1KMT2A
Benomyl SCHEMBL8379451 0.74 TSHR (1.00) TSHRALDH1A1ASAH1MEN1KMT2A
Benomyl SCHEMBL15681 0.74 TSHR (1.00) TSHRALDH1A1ASAH1MEN1KMT2A
SCHEMBL28314135 0.74 ALDH1A1 (0.47) TSHRALDH1A1ASAH1MEN1KMT2A

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-110177847-A Lotion, the composition comprising lotion, the film and associated method formed with it 美国陶氏有机硅公司 2019-08-27 CN disclosed