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Sugi Predict / Compounds / SCHEMBL28876134

SCHEMBL28876134

SCHEMBL28876134

CCCCC(CC)CC(CCCC(C(O)Cn1nc2ccc(Cl)cc2n1)C(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 8/20 0.37
▸ MMP3 P08254 8/20 0.37
▸ MAPK1 P28482 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ PPARA Q07869 1/20 0.31
▸ CA2 P00918 1/20 0.30
▸ PTPN1 P18031 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
SCHEMBL4454844 0.71 GAA (0.33) MMP2MMP3MAPK1ALDH1A1TSHR
SCHEMBL208254 0.71 MMP2 (0.33) MMP2MMP3MAPK1ALDH1A1TSHR
SCHEMBL28885881 0.67 GAA (0.34) MAPK1ALDH1A1TSHR
SCHEMBL867735 0.66 CA2 (0.67) MAPK1ALDH1A1TSHRCA2
SCHEMBL3128633 0.65 CA2 (0.64) MAPK1ALDH1A1TSHRCA2
SCHEMBL2230971 0.64 CA2 (0.62) MAPK1ALDH1A1CA2
Toluene SCHEMBL1625231 0.64 MAPK1 (0.50) MMP2MMP3MAPK1ALDH1A1TSHR
SCHEMBL6441486 0.63 ALDH1A1 (0.52) MAPK1ALDH1A1TSHRKDM4E
SCHEMBL160551 0.63 GRIK1 (0.62) MAPK1ALDH1A1CA2
SCHEMBL6508633 0.63 GRIK1 (0.62) MAPK1ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114231214-A Interlayer film for laminated glass and laminated glass 积水化学工业株式会社 2022-03-25 — — CN disclosed