SCHEMBL29633503

SCHEMBL29633503

Cc1ccc2c(c1)-c1cc(C)ccc1C2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 3/20 0.57
ACHE P22303 3/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
ADORA1 P30542 1/20 0.46
PARP1 P09874 1/20 0.45
PARP10 Q53GL7 1/20 0.45
CYP19A1 P11511 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL546147 1.00 METAP1 (0.57) METAP1ACHEHTR2AHTR2CADORA1
SCHEMBL22738419 0.95 METAP1 (0.53) METAP1ACHEHTR2AHTR2CADORA1
SCHEMBL21694418 0.93 METAP1 (0.52) METAP1ACHEHTR2AHTR2CADORA1
SCHEMBL547186 0.89 ALDH1A1 (0.53) METAP1ACHEHTR2CCYP1A2MAOA
SCHEMBL22079199 0.87 CHEK2 (0.47) METAP1ACHEHTR2AHTR2CADORA1
SCHEMBL12704854 0.87 ESR1 (0.47) METAP1ACHEHTR2AHTR2CADORA1
SCHEMBL1609651 0.85 METAP1 (0.71) METAP1ACHEHTR2AHTR2CADORA1
SCHEMBL10357662 0.85 METAP1 (0.46) METAP1ACHEHTR2AHTR2CADORA1
SCHEMBL29332473 0.84 METAP1 (0.53) METAP1ACHEHTR2AHTR2CPARP1
SCHEMBL6056920 0.84 METAP1 (0.69) METAP1ACHEHTR2AHTR2CADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117756967-A Silicon bridged metallocene catalyst and application thereof 上海化工研究院有限公司 2024-03-26 CN disclosed
CN-117603275-A Preparation method of polyketone catalyst and application of polyketone catalyst in catalyzing polyketone synthesis 万华化学集团股份有限公司 2024-02-27 CN disclosed
CN-113443950-B Method for reducing carbonyl into methylene under illumination 中山大学 2023-11-03 CN disclosed
CN-109824809-B Ethylene-alpha-olefin-nonconjugated polyene copolymer and use thereof 三井化学株式会社 2022-06-28 CN disclosed