SCHEMBL30998248

SCHEMBL30998248

C#Cc1ccc(CCO)nc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
ACACB O00763 1/20 0.35
EGLN1 Q9GZT9 1/20 0.33
HDAC8 Q9BY41 1/20 0.31
PARP1 P09874 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KEAP1 Q14145 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
SCHEMBL19260416 0.87 FFAR1 (0.39) FFAR1ACACBEGLN1
SCHEMBL3010045 0.84 FFAR1 (0.37) FFAR1ACACBEGLN1HDAC8PARP1
SCHEMBL503735 0.81 HRH1 (0.42) FFAR1ACACBHDAC8PARP1KEAP1
SCHEMBL8569361 0.81 FFAR1 (0.41) FFAR1ACACBALDH1A1
SCHEMBL19113961 0.81 FFAR1 (0.38) FFAR1ACACBHDAC8KEAP1
SCHEMBL1901918 0.77 FFAR1 (0.69) FFAR1ACACBEGLN1
SCHEMBL15491230 0.76 HDAC8 (0.33) FFAR1ACACBEGLN1HDAC8PARP1
SCHEMBL22031755 0.76 FFAR1 (0.33) FFAR1EGLN1HDAC8KEAP1
SCHEMBL22031495 0.76 CCR1 (0.35) FFAR1EGLN1HDAC8KEAP1
SCHEMBL31098105 0.76 CCR1 (0.35) FFAR1EGLN1HDAC8KEAP1

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-2024153173-A1 AROMATIC ACETYLENE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2024-07-25 WO disclosed