SCHEMBL31587975

SCHEMBL31587975

CC(=CC(C)O)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ KEAP1 Q14145 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ TRPA1 O75762 2/20 0.41
▸ TRPV1 Q8NER1 3/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL14503865 0.83 ALDH1A1 (0.47) ALDH1A1KEAP1MEN1KMT2AFFAR1
SCHEMBL6238315 0.78 ALDH1A1 (0.59) ALDH1A1KEAP1KMT2AFFAR1TRPV1
SCHEMBL28754267 0.78 ALDH1A1 (0.59) ALDH1A1KEAP1KMT2AFFAR1TRPV1
SCHEMBL22375194 0.75 ALDH1A1 (0.55) ALDH1A1KEAP1KMT2AFFAR1TRPV1
SCHEMBL4824729 0.75 ALDH1A1 (0.55) ALDH1A1KEAP1KMT2AFFAR1TRPV1
SCHEMBL29408009 0.75 ALDH1A1 (0.55) ALDH1A1KEAP1KMT2AFFAR1TRPV1
SCHEMBL20845698 0.75 ALDH1A1 (0.55) ALDH1A1KEAP1KMT2AFFAR1TRPV1
SCHEMBL20845697 0.75 ALDH1A1 (0.55) ALDH1A1KEAP1KMT2AFFAR1TRPV1
SCHEMBL1848296 0.74 ALDH1A1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL21486330 0.73 ALDH1A1 (0.53) ALDH1A1KEAP1MEN1KMT2AFFAR1

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-120025262-A Synthesis method of chiral Fmoc-alpha-methyl homophenylalanine 康化(上海)新药研发有限公司 2025-05-23 — — CN disclosed
Send feedback