SCHEMBL29906366

SCHEMBL29906366

CCC1=C(Cc2ccc(C(F)(F)F)cc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 3/20 0.46
▸ LMNA P02545 6/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ MAPT P10636 5/20 0.45
▸ HPGD P15428 4/20 0.45
▸ NPSR1 Q6W5P4 4/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALOX12 P18054 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ CCR6 P51684 3/20 0.45
▸ HKDC1 Q2TB90 3/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ STAT3 P40763 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ MAPK1 P28482 3/20 0.42

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
SCHEMBL26982494 1.00 CHRM5 (0.46) CHRM5LMNAALDH1A1MAPTHPGD
SCHEMBL29906407 0.89 HIF1A (0.50) CHRM5LMNAALDH1A1MAPTHPGD
SCHEMBL26982495 0.89 HIF1A (0.50) CHRM5LMNAALDH1A1MAPTHPGD
SCHEMBL12833645 0.85 TBXAS1 (0.54) CHRM5LMNAALDH1A1MAPTHPGD
SCHEMBL29906418 0.82 CHRM5 (0.49) CHRM5LMNAALDH1A1MAPTHPGD
SCHEMBL26982468 0.82 CHRM5 (0.49) CHRM5LMNAALDH1A1MAPTHPGD
SCHEMBL26982491 0.82 CHRM5 (0.46) CHRM5LMNAALDH1A1MAPTHPGD
SCHEMBL29906359 0.82 CHRM5 (0.46) CHRM5LMNAALDH1A1MAPTHPGD
SCHEMBL29906421 0.79 PTPN1 (0.48) CHRM5ALDH1A1MAPTNPSR1HTT
SCHEMBL26982481 0.79 PTPN1 (0.48) CHRM5ALDH1A1MAPTNPSR1HTT

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
WO-2022184904-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-09-09 — — WO disclosed
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