SCHEMBL28628629

SCHEMBL28628629

CCOC(=O)c1ccccc1Br.[Zn]

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.71
ALDH1A1 P00352 4/20 0.61
HSD17B10 Q99714 3/20 0.61
CDC25B P30305 1/20 0.51
RAB9A P51151 3/20 0.51
KDM4E B2RXH2 3/20 0.51
NPC1 O15118 2/20 0.51
RXFP1 Q9HBX9 2/20 0.51
HPGD P15428 1/20 0.51
F2R P25116 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL408906 0.98 TSHR (0.74) TSHRALDH1A1HSD17B10CDC25BRAB9A
Bromide SCHEMBL15544606 0.96 TSHR (0.71) TSHRALDH1A1HSD17B10CDC25BRAB9A
SCHEMBL5096210 0.84 TSHR (0.65) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL22296 0.84 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL29404255 0.84 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
Diethyl Phthalate SCHEMBL5306972 0.84 TSHR (1.00) TSHRALDH1A1HSD17B10CDC25BKDM4E
SCHEMBL265052 0.84 TSHR (0.63) TSHRALDH1A1HSD17B10CDC25BRAB9A
SCHEMBL28002169 0.84 ALDH1A1 (0.76) TSHRALDH1A1HSD17B10RAB9AKDM4E
Ethyl Benzoate SCHEMBL6867262 0.82 SMN1; SMN2 (0.54) TSHRALDH1A1HSD17B10RAB9AKDM4E
SCHEMBL8178343 0.82 TSHR (0.61) TSHRALDH1A1HSD17B10CDC25BKDM4E

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-113121354-A Synthesis method of substituted biphenyl compound 武汉工程大学 2021-07-16 CN disclosed