SCHEMBL28880722

SCHEMBL28880722

CCCCOC(OCCCC)(OCCCC)C(=O)CC(C)=O.[Ti]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
CES2 O00748 3/20 0.37
ATM Q13315 1/20 0.35
ACHE P22303 3/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 2/20 0.33
EPHX1 P07099 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL23175274 0.96 ALDH1A1 (0.42) ALDH1A1CES2ATMACHEHPGD
SCHEMBL28338641 0.88 MGAM (0.34) ALDH1A1CES2MGAMGAASI
SCHEMBL21957639 0.86 MGAM (0.36) ALDH1A1CES2HPGDMGAMGAA
SCHEMBL29761906 0.84 MGAM (0.34) ALDH1A1CES2MGAMGAASI
SCHEMBL15510314 0.82 ALDH1A1 (0.39) ALDH1A1CES2ATMACHEHPGD
SCHEMBL4484178 0.81 ALDH1A1 (0.38) ALDH1A1CES2ATMACHEHPGD
SCHEMBL13881602 0.81 ALDH1A1 (0.42) ALDH1A1CES2ATMACHEHPGD
SCHEMBL30534789 0.79 MGAM (0.37) ALDH1A1MGAMGAASIMGAM2
SCHEMBL4484172 0.79 CA1 (0.38) ALDH1A1CES2ATMACHEHPGD
SCHEMBL7642806 0.79 CA1 (0.38) ALDH1A1CES2ATMACHEHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110730801-B Sidewall reinforcing rubber for run flat tire and run flat tire 株式会社普利司通 2022-07-19 CN disclosed
WO-2022138541-A1 POLYMETALLOXANE, COMPOSITION OF SAME, CURED FILM, METHOD FOR PRODUCING SAID CURED FILM, MEMBER AND ELECTRONIC COMPONENT EACH PROVIDED WITH SAID CURED FILM, FIBER, AND METHOD FOR PRODUCING SAID FIBER 東レ株式会社 2022-06-30 WO disclosed
CN-114502629-A Safety tyre 株式会社普利司通 2022-05-13 CN disclosed
CN-114466888-A Rubber composition and run-flat tire 株式会社普利司通 2022-05-10 CN disclosed
CN-111492000-A Rubber composition and tire using same 株式会社普利司通 2020-08-04 CN disclosed
CN-111372985-A Spike-free antiskid tread rubber composition for winter tire 住友橡胶工业株式会社 2020-07-03 CN disclosed
CN-110741035-A Vulcanized rubber, tire, and run flat tire 株式会社普利司通 2020-01-31 CN disclosed
CN-110730801-A Sidewall reinforcing rubber for run flat tire and run flat tire 株式会社普利司通 2020-01-24 CN disclosed
CN-110540679-A Rubber composition for tire and pneumatic tire SUMITOMO RUBBER IND 2019-12-06 CN disclosed