SCHEMBL30569504

SCHEMBL30569504

CC(C)(C)c1ccc(Nc2cc3sc4ccccc4c3cc2B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 1/20 0.33
▸ PRSS12 P56730 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ KIF11 P52732 1/20 0.30
▸ PTPN7 P35236 1/20 0.30
▸ DUSP3 P51452 1/20 0.30
▸ PTPN12 Q05209 1/20 0.30
▸ PTPN22 Q9Y2R2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ APEX1 P27695 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
SCHEMBL26599712 0.81 PTGIR (0.36) PTGIR
SCHEMBL30569510 0.81 HIF1A (0.32) HIF1A
SCHEMBL30569503 0.77 HPGD (0.38) ABCG2HIF1ADUSP3MAPT
SCHEMBL24126531 0.76 AKR1C3 (0.39) PTGIRHIF1AMAPT
SCHEMBL26599940 0.76 HIF1A (0.38) PTGIRHIF1AMAPT
SCHEMBL30569512 0.76 AKR1C3 (0.39) PTGIRHIF1AMAPT
SCHEMBL20829080 0.76 LIPE (0.40) ABCG2HIF1A
SCHEMBL28667623 0.74 ALDH1A1 (0.44) PTGIRPRSS12ABCG2KIF11PTPN7
SCHEMBL23118205 0.74 PTGIR (0.49) PTGIRPRSS12ABCG2KIF11PTPN7
SCHEMBL25254653 0.73 HIF1A (0.32) ABCG2HIF1A

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-2023172110-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-09-14 — — WO disclosed
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