SCHEMBL31232340

SCHEMBL31232340

CCCC(=O)c1c(O)c(CNC)c(O)c(C)c1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FASN P49327 3/20 0.54
▸ PLA2G2A P14555 2/20 0.35
▸ PLA2G5 P39877 1/20 0.35
▸ IMPDH2 P12268 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KCNA3 P22001 1/20 0.32
▸ APP P05067 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PAK1 Q13153 1/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ TRPV1 Q8NER1 1/20 0.30
▸ HMGCR P04035 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
SCHEMBL30550308 0.86 FASN (0.69) FASNPLA2G2APLA2G5IMPDH2ALDH1A1
SCHEMBL31578852 0.86 FASN (0.69) FASNPLA2G2APLA2G5IMPDH2ALDH1A1
SCHEMBL30550331 0.82 FASN (0.59) FASNPLA2G2APLA2G5IMPDH2ALDH1A1
SCHEMBL31232367 0.82 FASN (0.59) FASNPLA2G2APLA2G5IMPDH2ALDH1A1
Iodide SCHEMBL30550312 0.80 FASN (0.49) FASNPLA2G2APLA2G5IMPDH2ALDH1A1
SCHEMBL30151487 0.79 FASN (0.77) FASNPLA2G2APLA2G5IMPDH2ABCB1
SCHEMBL34468635 0.78 FASN (0.55) FASNPLA2G2APLA2G5IMPDH2
SCHEMBL30898483 0.77 FASN (0.53) FASNPLA2G2APLA2G5IMPDH2LMNA
SCHEMBL29720143 0.77 FASN (0.53) FASNPLA2G2APLA2G5IMPDH2LMNA
SCHEMBL31232358 0.77 FASN (0.50) FASNPLA2G2APLA2G5LMNAAPP

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-118973992-A Synthetic method and application of agrimony phenol compound 港大科桥有限公司 2024-11-15 — — CN disclosed
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