Sugi Predict

Sugi Predict / Compounds / SCHEMBL29951735

SCHEMBL29951735

SCHEMBL29951735

O=Cc1cccc(CCl)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.40
▸ TERT O14746 15/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ PGK1 P00558 1/20 0.32
▸ PGK2 P07205 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9561000 1.00 CCR1 (0.40) CCR1TERTALDH1A1PGK1PGK2
SCHEMBL12664449 0.83 KCNH2 (0.45) CCR1TERTALDH1A1PGK1PGK2
SCHEMBL29805514 0.79 CCR1 (0.40) CCR1TERTALDH1A1PGK1PGK2
SCHEMBL249047 0.79 CCR1 (0.40) CCR1TERTALDH1A1
SCHEMBL22354808 0.79 CCR1 (0.40) CCR1TERTALDH1A1PGK1PGK2
SCHEMBL945430 0.79 CCR1 (0.40) CCR1TERTALDH1A1PGK1PGK2
SCHEMBL29953038 0.79 CCR1 (0.40) CCR1TERTALDH1A1PGK1PGK2
SCHEMBL6984612 0.79 CCR1 (0.40) CCR1TERTALDH1A1PGK1PGK2
SCHEMBL734728 0.77 KCNH2 (0.44) ALDH1A1PGK1PGK2KMT2ATDP1
SCHEMBL303150 0.77 CCR1 (0.55) CCR1TERTALDH1A1MEN1KMT2A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed