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SCHEMBL28412876

SCHEMBL28412876

CCC(C)(C(=O)O)c1c(C)cnc2ccc(Cl)c(C)c12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PTGFR P43088 6/20 0.30
▸ MCL1 Q07820 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
SCHEMBL28453319 0.76 ALDH1A1 (0.38) ALDH1A1CYP3A4PTGFRMCL1
SCHEMBL28447350 0.68 MEN1 (0.35) ALDH1A1CYP3A4PTGFR
SCHEMBL17301337 0.68 PDPK1 (0.33) ALDH1A1
SCHEMBL17278417 0.65 TNF (0.34) ALDH1A1
SCHEMBL30629472 0.65 KMT2A (0.52) ALDH1A1LMNAPOLB
SCHEMBL26632754 0.64 TP53 (0.47) ALDH1A1LMNAPOLB
SCHEMBL28442808 0.64 ALDH1A1 (0.39) ALDH1A1CYP3A4PTGFRMCL1
SCHEMBL26632816 0.63 HAVCR2 (0.36) ALDH1A1CYP3A4LMNAPOLB
SCHEMBL26632771 0.62 KMT2A (0.43) ALDH1A1LMNAPOLB
SCHEMBL27751742 0.62 TSHR (0.47) ALDH1A1CYP3A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111205223-B Quinoline derivatives, preparation method and application thereof 山东省联合农药工业有限公司 2021-06-22 — — CN disclosed
CN-111205223-A Quinoline derivatives, preparation method and application thereof 山东省联合农药工业有限公司 2020-05-29 — — CN disclosed