SCHEMBL23996298

SCHEMBL23996298

CCC(=O)OCCOc1ccc(N=Nc2ccc(N=Nc3ccc(N(CC)CCOC(=O)C(C)CC)cc3)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.36
▸ PPARA Q07869 6/20 0.35
▸ PPARG P37231 5/20 0.35
▸ PPARD Q03181 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ MITF O75030 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
SCHEMBL25491694 0.94 HTT (0.45) HTTPPARAPPARGPPARDSMN1; SMN2
SCHEMBL25491753 0.94 HTT (0.45) HTTPPARAPPARGPPARDSMN1; SMN2
SCHEMBL24581866 0.94 HTT (0.34) HTTPPARAPPARGSMN1; SMN2CYP1A2
SCHEMBL24581497 0.86 HTT (0.41) HTTPPARAPPARGPPARDSMN1; SMN2
SCHEMBL25491738 0.85 HTT (0.52) HTTPPARAPPARGSMN1; SMN2CYP1A2
SCHEMBL26332549 0.85 HTT (0.52) HTTPPARAPPARGSMN1; SMN2CYP1A2
SCHEMBL25501832 0.85 HTT (0.52) HTTPPARAPPARGSMN1; SMN2CYP1A2
SCHEMBL24507473 0.85 HTT (0.52) HTTPPARAPPARGSMN1; SMN2CYP1A2
SCHEMBL17694531 0.85 PPARA (0.40) HTTPPARAPPARGPPARDSMN1; SMN2
SCHEMBL25491700 0.81 HTT (0.45) HTTPPARAPPARGSMN1; SMN2CYP1A2

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-20210347149-A1 LAMINATE AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2021-11-11 — — US disclosed
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