SCHEMBL27452373

SCHEMBL27452373

CC(C)(O)C(C)(C)OBc1cc(-c2cccc3oc4ccc(-c5ccccc5)cc4c23)cc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.33
▸ PLA2G4A P47712 2/20 0.33
▸ CASP3 P42574 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ SLC6A9 P48067 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ PLA2G10 O15496 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ ANO1 Q5XXA6 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
SCHEMBL27452374 0.84 ANO1 (0.32) PLA2G2APLA2G4ACASP3SENP7SENP6
SCHEMBL27451387 0.84 PLA2G2A (0.36) PLA2G2APLA2G4AHSP90AA1HSP90AB1PLA2G10
SCHEMBL19802261 0.84 PLA2G2A (0.36) PLA2G2APLA2G4AHSP90AA1HSP90AB1PLA2G10
SCHEMBL27452248 0.83 PLA2G2A (0.33) PLA2G2APLA2G4AHSP90AA1HSP90AB1PLA2G10
SCHEMBL27452371 0.83 CDC14B (0.34) PLA2G2APLA2G4ACASP3HSP90AA1HSP90AB1
SCHEMBL27452077 0.82 ABCG2 (0.34) CASP3SENP7SENP6
SCHEMBL22147270 0.82 HSP90AA1 (0.31) HSP90AA1HSP90AB1
SCHEMBL24030557 0.81 TERT (0.31) HSD17B1HSD17B2
SCHEMBL27452430 0.81 ALOX5 (0.39) CASP3HSP90AA1HSP90AB1
SCHEMBL27451578 0.81 HSP90AA1 (0.33) PLA2G2APLA2G4AHSP90AA1HSP90AB1PLA2G10

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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