SCHEMBL28501367

SCHEMBL28501367

Cc1cc(C)c(C(=O)Cl)c(C(=O)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
TAS1R2 Q8TE23 3/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
ALDH1A1 P00352 3/20 0.35

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
SCHEMBL246394 0.86 TAS1R3 (0.41) KDM4EKMT2AMEN1TAS1R3TAS1R1
SCHEMBL28612978 0.84 TAS1R3 (0.40) KDM4EKMT2AMEN1TAS1R3TAS1R1
Phosphine SCHEMBL27814958 0.84 TAS1R3 (0.40) KDM4EKMT2AMEN1TAS1R3TAS1R1
SCHEMBL11785317 0.81 ALDH1A1 (0.33) CA1CA2SMN1; SMN2ALDH1A1MAPK1
SCHEMBL1311974 0.80 KDM4E (0.45) KDM4ECA1CA2MMP1MMP2
SCHEMBL18033973 0.78 HTT (0.44) KDM4EKMT2AMEN1TAS1R3TAS1R1
SCHEMBL7175355 0.78 KDM4E (0.44) KDM4EKMT2ACA1CA2MMP1
SCHEMBL8747647 0.78 ALDH1A1 (0.45) KDM4EKMT2AMEN1CA1CA2
SCHEMBL34463681 0.77 KDM4E (0.68) KDM4ECA1CA2MMP1MMP2
SCHEMBL26596783 0.77 KDM4E (0.40) KDM4EKMT2AMEN1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109897075-B Green synthesis method of sucralose-6-acetate 盐城捷康三氯蔗糖制造有限公司 2023-12-05 CN disclosed
CN-107983343-B Decarbonylation chlorination catalyst and preparation method and application thereof 上海化工研究院有限公司 2020-12-11 CN disclosed