SCHEMBL25140629

SCHEMBL25140629

CCC(C)(C)/C=C/c1cc(C)ccn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ UHRF1 Q96T88 1/20 0.38
▸ CCR1 P32246 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ F2R P25116 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ CRHR1 P34998 1/20 0.30

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
SCHEMBL13529232 0.72 UHRF1 (0.41) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL23917887 0.72 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL1707627 0.72 UHRF1 (0.48) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL12849272 0.71 UHRF1 (0.39) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL1282140 0.70 — —
SCHEMBL15948446 0.69 UHRF1 (0.37) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL23174775 0.68 CCR1 (0.43) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL23174772 0.68 CCR1 (0.43) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL29796494 0.68 CCR1 (0.43) UHRF1CCR1CCR5CCR8KDM4E
SCHEMBL23174773 0.68 CCR1 (0.43) UHRF1CCR1CCR5CCR8KDM4E

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-2023063112-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT キヤノン株式会社 2023-04-20 — — WO disclosed
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