SCHEMBL29429554

SCHEMBL29429554

C=Cc1cc(CC)ccc1CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
CYP2A6 P11509 2/20 0.38
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL1562630 1.00 TRPA1 (0.39) TRPA1CYP2A6CYP1A2ALDH1A1MAPT
SCHEMBL29600683 0.83 TRPA1 (0.39) TRPA1CYP2A6CYP1A2ALDH1A1MAPT
SCHEMBL668126 0.83 TRPA1 (0.39) TRPA1CYP2A6CYP1A2ALDH1A1MAPT
SCHEMBL3972895 0.83 TRPA1 (0.41) TRPA1CYP2A6CYP1A2ALDH1A1MAPT
SCHEMBL10497451 0.81 SRC (0.42) TRPA1CYP2A6CYP1A2ALDH1A1MAPT
SCHEMBL8441600 0.80 CYP1A2 (0.48) TRPA1CYP2A6CYP1A2ALDH1A1MAPT
SCHEMBL29051208 0.79 ALDH1A1 (0.40) TRPA1ALDH1A1MAPT
SCHEMBL11463025 0.79 TRPA1 (0.39) TRPA1CYP2A6CYP1A2ALDH1A1MAPT
SCHEMBL9468752 0.79 SRC (0.44) CYP2A6CYP1A2ALDH1A1MAPTSMN1; SMN2
SCHEMBL29700765 0.79 SRC (0.44) CYP2A6CYP1A2ALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115304757-B Block type ink resin and preparation method thereof 成都托展新材料股份有限公司 2023-08-11 CN claimed
CN-115304757-A Block type ink resin and preparation method thereof 成都托展新材料股份有限公司 2022-11-08 CN claimed
CN-118234789-A High clarity, low haze and UV stable styrene-methyl methacrylate copolymers 英力士苯领集团股份公司 2024-06-21 CN disclosed
CN-117897418-A Thermosetting resin and cured product thereof 第一工业制药株式会社 2024-04-16 CN disclosed
CN-116710517-A Low haze and high clarity anti-UV SMMA copolymers 英力士苯领集团股份公司 2023-09-05 CN disclosed
CN-115304757-B Block type ink resin and preparation method thereof 成都托展新材料股份有限公司 2023-08-11 CN disclosed
WO-2023068174-A1 THERMOSETTING RESIN AND CURED PRODUCT THEREOF 第一工業製薬株式会社 2023-04-27 WO disclosed
CN-115516018-A Dimensionally stable thermoplastic SMMA molding compositions having high opacity and high gloss 英力士苯领集团股份公司 2022-12-23 CN disclosed
CN-115304757-A Block type ink resin and preparation method thereof 成都托展新材料股份有限公司 2022-11-08 CN disclosed
WO-2022065269-A1 THERMOSETTING RESIN AND CURED OBJECT OBTAINED THEREFROM 第一工業製薬株式会社 2022-03-31 WO disclosed