SCHEMBL25736219

SCHEMBL25736219

CC(C)(C)C(=O)c1cccc(Oc2cccc(C(=O)C(C)(C)C)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.56
▸ TNKS O95271 1/20 0.51
▸ PARP15 Q460N3 1/20 0.51
▸ PARP14 Q460N5 1/20 0.51
▸ PARP10 Q53GL7 1/20 0.51
▸ TNKS2 Q9H2K2 1/20 0.51
▸ PARP2 Q9UGN5 1/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.50
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ KMO O15229 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ERCC5 P28715 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ PARP1 P09874 1/20 0.46

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
SCHEMBL26054651 0.95 AKR1C3 (0.66) AKR1C3TNKSPARP15PARP14PARP10
SCHEMBL25736538 0.89 AKR1C3 (0.46) AKR1C3TNKSPARP15PARP14PARP10
SCHEMBL7844611 0.87 CES2 (0.67) NPC1RAB9ACES2CES1KMT2A
SCHEMBL21658556 0.85 CES2 (0.46) AKR1C3NPC1POLBRAB9ACYP2C9
SCHEMBL11758979 0.84 CYP3A4 (0.61) NPC1RAB9ACES2CES1KMT2A
SCHEMBL10031819 0.83 ACHE (0.52) CYP2C9HDAC8PARP1ACHE
SCHEMBL6682185 0.82 AKR1C3 (0.64) AKR1C3TNKSPARP15PARP14PARP10
SCHEMBL22952541 0.82 KAT6A (0.52) NPC1POLBRAB9AHDAC8ACHE
SCHEMBL3691895 0.81 PARP10 (0.57) AKR1C3TNKSPARP15PARP14PARP10
SCHEMBL25719881 0.81 KMT2A (0.54) KMT2ANR4A1NR4A2NR4A3SMN1; SMN2

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
EP-4198632-A1 ELECTROPHOTOGRAPHIC PHOTORECEPTOR, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJIFILM Business Innovation Corp. (JP) 2023-06-21 — — EP disclosed
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