SCHEMBL28825976

SCHEMBL28825976

c1ccc(Cc2ccccc2-c2ccccc2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
CALM1 P0DP23 1/20 0.46
HTR2A P28223 1/20 0.45
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
BRD4 O60885 1/20 0.40
FOLH1 Q04609 1/20 0.40
PTPN1 P18031 2/20 0.39
ELANE P08246 1/20 0.39
ALOX5 P09917 1/20 0.38

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
SCHEMBL340250 0.91 DPP4 (0.58) DPP4CALM1HTR2ABCL2BCL2L1
SCHEMBL31070319 0.91 DPP4 (0.58) DPP4CALM1HTR2ABCL2BCL2L1
SCHEMBL29040201 0.91 CALM1 (0.55) CALM1HTR2ABCL2BCL2L1KMT2A
Hydrogen Sulfide SCHEMBL27779487 0.89 DPP4 (0.56) DPP4CALM1HTR2ABCL2BCL2L1
SCHEMBL6229874 0.89 CALM1 (0.58) CALM1HTR2ABCL2BCL2L1KMT2A
Bicarbonate SCHEMBL28055587 0.83 KMT2A (0.56) DPP4BCL2BCL2L1PDCD1CD274
SCHEMBL29484236 0.83 DPP4 (0.54) DPP4HTR2APDCD1CD274KMT2A
SCHEMBL29484232 0.83 DPP4 (0.54) DPP4HTR2APDCD1CD274KMT2A
SCHEMBL7009110 0.82 PTGER4 (0.51) DPP4CALM1HTR2ABCL2BCL2L1
Phenol SCHEMBL27575460 0.82 KEAP1 (0.50) DPP4BCL2BCL2L1PDCD1CD274

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-114931141-A Synergistic fungicidal mixtures for controlling fungi in cereals 阿达玛马克西姆股份有限公司 2022-08-23 CN disclosed