SCHEMBL27355758

SCHEMBL27355758

CC(C)(O)C(C)(C)OBc1ccc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.43
GGPS1 O95749 1/20 0.38
HDAC8 Q9BY41 1/20 0.35
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
PRKDC P78527 1/20 0.32
CDC14B O60729 2/20 0.30
CDC14A Q9UNH5 2/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL20806484 0.97 ALOX5 (0.41) ALOX5GGPS1HDAC8MEN1CYP2C19
SCHEMBL24633097 0.94 ALOX5 (0.48) ALOX5GGPS1HDAC8MEN1CYP2C19
SCHEMBL26867634 0.84 ALOX5 (0.36) ALOX5GGPS1CYP2C19PRKDCCDC14B
SCHEMBL25073022 0.84 ALOX5 (0.44) ALOX5GGPS1HDAC8MEN1CYP2C19
SCHEMBL21965128 0.83 ALOX5 (0.49) ALOX5GGPS1HDAC8MEN1CYP2C19
SCHEMBL22487169 0.82 ALOX5 (0.41) ALOX5GGPS1HDAC8MEN1CYP2C19
SCHEMBL27355507 0.82 PPARG (0.43) HDAC8CYP2C19
SCHEMBL27451637 0.82 ALOX5 (0.40) ALOX5GGPS1HDAC8MEN1CYP2C19
SCHEMBL21892767 0.81 AHR (0.35) MEN1CYP2C19KMT2A
SCHEMBL17612085 0.81 MMP12 (0.36) MEN1KMT2A

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-2024013275-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2024-01-18 WO disclosed