SCHEMBL21343396

SCHEMBL21343396

CC(C)(O)c1ccccc1-c1ccc(-c2ccccc2C(C)(C)O)c2c1oc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC14B O60729 9/20 0.44
▸ CDC14A Q9UNH5 9/20 0.44
▸ ALOX5 P09917 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ EPM2A O95278 1/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ PTPN7 P35236 1/20 0.35
▸ PTPN5 P54829 1/20 0.35
▸ PTPN11 Q06124 1/20 0.35
▸ PTPN13 Q12923 1/20 0.35
▸ DUSP23 Q9BVJ7 1/20 0.35
▸ PTPN22 Q9Y2R2 1/20 0.35
▸ KDM5A P29375 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL24896118 0.89 CDC14B (0.44) CDC14BCDC14AALOX5MEN1KMT2A
SCHEMBL21343381 0.86 CDC14B (0.48) CDC14BCDC14AALOX5MEN1KMT2A
SCHEMBL4554342 0.85 ALOX5 (0.54) CDC14BCDC14AALOX5MEN1KMT2A
SCHEMBL21343402 0.84 CDC14B (0.43) CDC14BCDC14AALOX5MEN1KMT2A
SCHEMBL20205417 0.78 ALOX5 (0.50) CDC14BCDC14AALOX5MEN1KMT2A
SCHEMBL25742320 0.77 MAOA (0.46) ALOX5MEN1KMT2ACYP2C19KDM5A
SCHEMBL14096716 0.77 ALDH1A1 (0.38) MEN1KMT2ACYP2C19CYP3A4MAPT
SCHEMBL21343401 0.77 MEN1 (0.37) CDC14BCDC14AALOX5MEN1KMT2A
SCHEMBL24519947 0.76 ALOX5 (0.48) CDC14BCDC14AALOX5MEN1KMT2A
SCHEMBL20205472 0.76 CDC14B (0.43) CDC14BCDC14AALOX5MEN1KMT2A

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
WO-2019170578-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-12 — — WO disclosed
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