SCHEMBL28056405

SCHEMBL28056405

C#Cc1ccc(CC)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.41
▸ TRPA1 O75762 1/20 0.39
▸ CYP2A6 P11509 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ ALOX5 P09917 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SKP2 Q13309 1/20 0.32
▸ KDM4E B2RXH2 2/20 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
SCHEMBL21196903 0.80 SKP2 (0.50) CYP1A2PTGS1PTGS2ALDH1A1LMNA
SCHEMBL11661685 0.79 TRPA1 (0.39) TRPA1CYP2A6CYP1A2ALDH1A1NPC1
SCHEMBL12763837 0.79 CYP2A6 (0.48) PDE2ATRPA1CYP2A6CYP1A2RAPGEF4
SCHEMBL2704055 0.79 TRPA1 (0.39) PDE2ATRPA1CYP2A6CYP1A2RAPGEF4
SCHEMBL11652715 0.79 GABRA1 (0.42) TRPA1CYP1A2ALOX5PTGS1PTGS2
SCHEMBL15491227 0.78 TRPA1 (0.38) TRPA1CYP2A6CYP1A2ALDH1A1NPC1
SCHEMBL8196522 0.73 TRPA1 (0.38) TRPA1CYP2A6CYP1A2ALDH1A1NPC1
SCHEMBL31529674 0.73 TRPA1 (0.34) PDE2ATRPA1CYP2A6CYP1A2RAPGEF4
SCHEMBL935347 0.73 TDP1 (0.42) TRPA1CYP2A6CYP1A2RAPGEF4ALDH1A1
SCHEMBL30150790 0.73 TDP1 (0.42) TRPA1CYP2A6CYP1A2RAPGEF4ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025049824-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING AROMATIC DERIVATIVES OSMO LABS, PBC (US) 2025-03-06 — — WO disclosed
CN-107073904-B Laminated body DIC株式会社 2019-06-28 — — CN disclosed
CN-105339418-A Inorganic microparticle composite, method for producing same, composition, and cured product DAINIPPON INK &AMP 2016-02-17 — — CN disclosed
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