SCHEMBL29818729

SCHEMBL29818729

CCc1c(C=O)cc(C=O)c(C)c1CC

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.36
▸ ERN1 O75460 1/20 0.35
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ SRC P12931 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GRIA1 P42261 1/20 0.31
▸ GRIA2 P42262 1/20 0.31
▸ GRIA3 P42263 1/20 0.31
▸ GRIA4 P48058 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL26908592 0.86 ERN1 (0.32) ERN1
SCHEMBL28866503 0.85 ALDH1A1 (0.35) ALDH1A1ERN1LMNATSHRSRC
SCHEMBL26908550 0.85 ERN1 (0.31) ERN1
SCHEMBL29818609 0.78 ALDH1A1 (0.33) ALDH1A1ERN1LMNASRCSMN1; SMN2
SCHEMBL8914606 0.76 ALDH1A1 (0.37) ALDH1A1ERN1SRC
Malonic Acid SCHEMBL28257957 0.75 SRC (0.37) ALDH1A1ERN1SRC
SCHEMBL29818618 0.75 ALDH1A1 (0.37) ALDH1A1ERN1LMNATSHRSRC
SCHEMBL6851211 0.74 TDP1 (0.41) ALDH1A1LMNATSHRSMN1; SMN2TDP1
SCHEMBL13714149 0.72 ERN1 (0.48) ALDH1A1ERN1LMNATSHRSRC
SCHEMBL29110863 0.72 ALDH1A1 (0.33) ALDH1A1ERN1TSHRSMN1; SMN2GRIA1

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
US-20240166867-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-05-23 — — US disclosed
EP-4286448-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-06 — — EP disclosed
CN-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 — — CN disclosed
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 — — CN disclosed
WO-2022163674-A1 THERMOPLASTIC RESIN AND OPTICAL LENS INCLUDING SAME 三菱瓦斯化学株式会社 2022-08-04 — — WO disclosed
WO-2022163684-A1 CYCLIC DIOL COMPOUND, METHOD FOR PRODUCING SAID COMPOUND, AND USE OF SAID COMPOUND 新日本理化株式会社 2022-08-04 — — WO disclosed
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