SCHEMBL30834716

SCHEMBL30834716

Cc1cccc(-c2cccc(C)c2C)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
ATM Q13315 1/20 0.52
CYP2A6 P11509 2/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 2/20 0.47
ACHE P22303 1/20 0.47
ALDH1A1 P00352 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
NUDT1 P36639 3/20 0.41
P2RX7 Q99572 1/20 0.40
DAO P14920 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
POLB P06746 1/20 0.39
CD44 P16070 1/20 0.39
CNR1 P21554 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
SCHEMBL218508 1.00 TRPA1 (0.52) TRPA1ATMCYP2A6CYP1A2TSHR
Ammonia Solution, Strong SCHEMBL22444763 0.97 TRPA1 (0.50) TRPA1ATMCYP2A6CYP1A2TSHR
Ammonia Solution, Strong SCHEMBL15862222 0.97 TRPA1 (0.50) TRPA1ATMCYP2A6CYP1A2TSHR
Hydrogen Sulfide SCHEMBL1538405 0.97 TRPA1 (0.50) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL19838629 0.94 TRPA1 (0.48) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL284410 0.91 TSHR (0.47) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL9701669 0.89 TSHR (0.45) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL3692592 0.85 TRPA1 (0.46) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL11741027 0.85 MYC (0.48) TRPA1ATMCYP2A6CYP1A2TSHR
SCHEMBL23198745 0.84 TRPA1 (0.41) TRPA1ATMCYP2A6CYP1A2TSHR

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-2025063083-A1 COMPOUND, METHOD FOR PRODUCING SAME, CURABLE RESIN COMPOSITION, AND CURED PRODUCT OF SAME 日本化薬株式会社 2025-03-27 WO disclosed
WO-2024060997-A1 NOVEL FULLERENE-LIPID COMPLEX AND ENTERIC CAPSULE THEREOF 厦门福纳新材料科技有限公司 2024-03-28 WO disclosed
CN-117731617-A Novel fullerene lipid compound and enteric capsule thereof 厦门福纳新材料科技有限公司 2024-03-22 CN disclosed