SCHEMBL27452428

SCHEMBL27452428

CC(C)(O)C(C)(C)OBc1cccc2oc3ccc(-c4cccc5c4oc4ccccc45)cc3c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.47
▸ GGPS1 O95749 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ PRKDC P78527 2/20 0.35
▸ PTGES2 Q9H7Z7 1/20 0.35
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ALPI P09923 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL27452430 0.92 ALOX5 (0.39) ALOX5GGPS1HSP90AA1HSP90AB1PTGES2
SCHEMBL27451578 0.89 HSP90AA1 (0.33) ALOX5GGPS1HSP90AA1HSP90AB1
SCHEMBL27334322 0.89 HSP90AA1 (0.40) ALOX5GGPS1HSP90AA1HSP90AB1MEN1
SCHEMBL27452721 0.87 ALOX5 (0.34) ALOX5GGPS1HSP90AA1HSP90AB1CYP2C19
SCHEMBL27334513 0.86 ALOX5 (0.41) ALOX5GGPS1PRKDCPTGES2MEN1
SCHEMBL27451634 0.85 ALOX5 (0.39) ALOX5GGPS1PRKDCPTGES2PRMT5
SCHEMBL27451632 0.85 ALOX5 (0.38) ALOX5GGPS1CYP2C19ADRB2CDC14B
SCHEMBL19802261 0.85 PLA2G2A (0.36) HSP90AA1HSP90AB1PRKDCADRB2GAA
SCHEMBL27451387 0.85 PLA2G2A (0.36) HSP90AA1HSP90AB1PRKDCADRB2GAA
SCHEMBL27451857 0.85 CDC14B (0.37) ALOX5GGPS1PRKDCPTGES2CYP2C19

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-2024144086-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2024-07-04 — — WO disclosed
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