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SCHEMBL25070387

SCHEMBL25070387

CCCCCCCCC1(C)c2cc(OCCCC)ccc2-c2ccc(-c3ccc(-c4ccc5c(c4)C(CCCCCCCC)(CCCCCCCC)c4cc(OCCCC)ccc4-5)c4nsnc34)cc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.41
▸ PTPN11 Q06124 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL19637351 0.95 PDK2 (0.45) PDK2PTPN11KDM4EALDH1A1HPGD
SCHEMBL18418553 0.91 PDK2 (0.43) PDK2PTPN11KDM4EALDH1A1HPGD
SCHEMBL18418568 0.86 PDK2 (0.39) PDK2PTPN11KDM4EALDH1A1HPGD
SCHEMBL18418541 0.85 PDK2 (0.43) PDK2PTPN11KDM4EALDH1A1HPGD
SCHEMBL25452986 0.84 — —
SCHEMBL25445504 0.82 — —
SCHEMBL14454541 0.82 RARB (0.39) PDK2PTPN11CYP1A2CYP2D6CYP19A1
SCHEMBL25444701 0.81 PDK2 (0.32) PDK2PTPN11
SCHEMBL20647403 0.81 PDK2 (0.37) PDK2PTPN11
SCHEMBL25444648 0.80 MCL1 (0.33) PDK2

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
US-20230053362-A1 DICHROIC DYE COMPOSITION MERCK PATENT GMBH (DE) 2023-02-23 — — US disclosed
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