SCHEMBL21132837

SCHEMBL21132837

COc1ccc(C(OC(=O)N(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.45
▸ CES2 O00748 1/20 0.45
▸ CES1 P23141 1/20 0.45
▸ KMT2A Q03164 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ BCHE P06276 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ PTGS2 P35354 1/20 0.41

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
SCHEMBL4588423 0.82 CES2 (0.49) KIF11CES2CES1KMT2ARAB9A
SCHEMBL3024596 0.77 KIF11 (0.44) KIF11CES2CES1KMT2ARAB9A
SCHEMBL10695316 0.77 KIF11 (0.44) KIF11CES2CES1KMT2ARAB9A
SCHEMBL10606703 0.77 MAPT (0.46) KIF11CES2CES1KMT2ARAB9A
SCHEMBL23828851 0.76 KMT2A (0.51) KIF11CES2CES1KMT2ARAB9A
SCHEMBL7716823 0.76 KIF11 (0.43) KIF11CES2CES1KMT2ARAB9A
SCHEMBL7716816 0.76 KIF11 (0.43) KIF11CES2CES1KMT2ARAB9A
SCHEMBL1507907 0.75 KCNN4 (0.41) CES2CES1KMT2ARAB9AALDH1A1
SCHEMBL19620174 0.74 CA4 (0.50) KIF11CES2CES1RAB9AALDH1A1
SCHEMBL434969 0.74 CA4 (0.54) KIF11CES2CES1KMT2ARAB9A

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
US-11117364-B2 Color developing composition, lithographic printing plate precursor, method for producing lithographic printing plate, and compound FUJIFILM CORPORATION (JP) 2021-09-14 — — US disclosed
US-20190184696-A1 COLOR DEVELOPING COMPOSITION, LITHOGRAPHIC PRINTING PLATE PRECURSOR, METHOD FOR PRODUCING LITHOGRAPHIC PRINTING PLATE, AND COMPOUND FUJIFILM CORPORATION (JP) 2019-06-20 — — US disclosed
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