SCHEMBL29053733

SCHEMBL29053733

CCc1ccc2c(C(C)C)c3ccccc3c(C(C)C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.53
▸ CYP1A2 P05177 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TP53 P04637 2/20 0.38
▸ PGR P06401 1/20 0.38
▸ RORA P35398 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ RORB Q92753 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ TRPA1 O75762 1/20 0.36
▸ USP2 O75604 2/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL5843477 0.82 KIF11 (0.47) KIF11CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL10706672 0.79 KIF11 (0.59) KIF11CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL29053723 0.76 KIF11 (0.41) KIF11CYP1A2CYP2A6ALDH1A1LMNA
SCHEMBL22497401 0.74 KIF11 (0.53) KIF11CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL1070847 0.74 KIF11 (0.53) KIF11CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL31601116 0.74 KIF11 (0.53) KIF11CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL29053729 0.74 ALB (0.50) KIF11CYP1A2CYP2A6NPC1LMNA
SCHEMBL15513563 0.73 KIF11 (0.45) KIF11CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL29636419 0.73 KIF11 (0.45) KIF11CYP1A2CYP2A6ALDH1A1MAPT
SCHEMBL1043776 0.72 KIF11 (0.52) KIF11CYP1A2CYP2A6ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113994257-B Photosensitive polyimide resin composition 合肥汉之和新材料科技有限公司 2024-12-24 — — CN disclosed
CN-118984828-A Compound, method for producing the compound, curable material, curable composition, method for producing cured product, and cured product 株式会社艾迪科 2024-11-19 — — CN disclosed
CN-117581123-A Polarizing plate and liquid crystal display device 柯尼卡美能达株式会社 2024-02-20 — — CN disclosed
CN-111315828-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-09-29 — — CN disclosed
CN-115003709-B Compound, method for producing compound, and curable composition 株式会社艾迪科 2023-09-29 — — CN disclosed
CN-112154167-B Composition, cured product, optical filter, and method for producing cured product 株式会社艾迪科 2023-08-22 — — CN disclosed
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