SCHEMBL29403128

SCHEMBL29403128

OC(c1cccc(Cl)c1)C(O)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.50
TSHR P16473 1/20 0.48
AOC3 Q16853 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
ADRB1 P08588 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB3 P13945 1/20 0.41
MIF P14174 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC2A1 P11166 1/20 0.41
PARP1 P09874 1/20 0.40
IDO1 P14902 2/20 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
SCHEMBL11606577 1.00 ACP3 (0.50) ACP3TSHRAOC3MEN1KMT2A
SCHEMBL11605484 0.93 ACP3 (0.55) ACP3TSHRAOC3MEN1KMT2A
SCHEMBL28951519 0.89 ACP3 (0.46) ACP3TSHRAOC3LMNAADRB1
SCHEMBL23489885 0.87 ACP3 (0.44) ACP3TSHRAOC3MEN1KMT2A
SCHEMBL23489886 0.87 ACP3 (0.44) ACP3TSHRAOC3MEN1KMT2A
SCHEMBL11221452 0.87 ACP3 (0.44) ACP3TSHRAOC3MEN1KMT2A
SCHEMBL424623 0.85 ACP3 (0.50) ACP3TSHRAOC3MEN1KMT2A
SCHEMBL6225449 0.85 ACP3 (0.50) ACP3TSHRAOC3MEN1KMT2A
SCHEMBL634062 0.83 ADRB1 (0.42) ACP3TSHRAOC3ADRB1ADRB2
SCHEMBL31620156 0.83 ADRB1 (0.65) TSHRAOC3KMT2AALDH1A1LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114108014-B Method for synthesizing pinacol by selective electroreduction coupling of active hydrogen-mediated carbonyl compound in water 天津大学 2023-08-11 CN claimed
CN-114108014-A Method for synthesizing pinacol by selective electroreduction coupling of carbonyl compound mediated by active hydrogen in water 天津大学 2022-03-01 CN claimed
CN-114108014-B Method for synthesizing pinacol by selective electroreduction coupling of active hydrogen-mediated carbonyl compound in water 天津大学 2023-08-11 CN disclosed
CN-114108014-A Method for synthesizing pinacol by selective electroreduction coupling of carbonyl compound mediated by active hydrogen in water 天津大学 2022-03-01 CN disclosed