SCHEMBL28401898

SCHEMBL28401898

CC(C)(C)c1cccc(C(C)(C)C)c1.OP(O)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.50
▸ HDAC8 Q9BY41 3/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ KIF11 P52732 1/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ ESR2 Q92731 1/20 0.43
▸ RXRA P19793 2/20 0.43
▸ RXRB P28702 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ GABRA1 P14867 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ PGK1 P00558 1/20 0.39
▸ PGK2 P07205 1/20 0.39

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
SCHEMBL28399919 1.00 ACHE (0.50) ACHEHDAC8HDAC4HDAC2KIF11
SCHEMBL9492395 0.90 HDAC8 (0.54) ACHEHDAC8HDAC4HDAC2KIF11
SCHEMBL26621934 0.90 HDAC8 (0.54) ACHEHDAC8HDAC4HDAC2KIF11
SCHEMBL29002849 0.90 HDAC8 (0.54) ACHEHDAC8HDAC4HDAC2KIF11
Fluoride SCHEMBL28116259 0.88 HDAC8 (0.52) ACHEHDAC8HDAC4HDAC2KIF11
Benzene SCHEMBL6737729 0.88 HDAC8 (0.52) ACHEHDAC8HDAC4HDAC2KIF11
Methane SCHEMBL8391513 0.86 HDAC8 (0.50) ACHEHDAC8HDAC4HDAC2KIF11
SCHEMBL129151 0.84 HDAC8 (0.56) ACHEHDAC8HDAC4HDAC2KIF11
Water SCHEMBL29289408 0.82 HDAC8 (0.54) ACHEHDAC8HDAC4HDAC2KIF11
SCHEMBL28653353 0.80 HDAC8 (0.54) ACHEHDAC8HDAC4HDAC2KIF11

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114250055-A Single-component halogen-free flame-retardant silane modified polyurethane sealant and preparation method thereof 山东北方现代化学工业有限公司 2022-03-29 — — CN claimed
CN-111534260-A Epoxy resin packaging adhesive and preparation method and application thereof 北京康美特科技股份有限公司 2020-08-14 — — CN claimed
CN-111057298-A PE (polyethylene) winding film and preparation method thereof 郑州市祥泰塑业有限公司 2020-04-24 — — CN claimed
CN-117924925-A Low-odor flame-retardant polyamide composite material and preparation method and application thereof 金发科技股份有限公司 2024-04-26 — — CN disclosed
CN-114250055-B Single-component halogen-free flame-retardant silane modified polyurethane sealant and preparation method thereof 山东北方现代化学工业有限公司 2024-02-27 — — CN disclosed
CN-114250055-A Single-component halogen-free flame-retardant silane modified polyurethane sealant and preparation method thereof 山东北方现代化学工业有限公司 2022-03-29 — — CN disclosed
CN-111534260-B Epoxy resin packaging adhesive and preparation method and application thereof 北京康美特科技股份有限公司 2021-12-14 — — CN disclosed
CN-111534260-A Epoxy resin packaging adhesive and preparation method and application thereof 北京康美特科技股份有限公司 2020-08-14 — — CN disclosed
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