SCHEMBL30569503

SCHEMBL30569503

CC(C)(C)c1ccc(Nc2cc3c(cc2B2OC(C)(C)C(C)(C)O2)oc2ccccc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 9/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ RAB9A P51151 4/20 0.37
▸ KDM4E B2RXH2 5/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 7/20 0.34
▸ KMT2A Q03164 7/20 0.34
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ GAA P10253 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ AHR P35869 2/20 0.33
▸ MAPT P10636 5/20 0.32
▸ LMNA P02545 4/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP2C19 P33261 2/20 0.32

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
SCHEMBL25250192 0.87 LPL (0.42) HPGDALDH1A1RAB9AKDM4EHTT
SCHEMBL30569509 0.80 HIF1A (0.32) HIF1A
SCHEMBL30569504 0.77 PTGIR (0.33) MAPTABCG2HIF1ADUSP3
SCHEMBL20829080 0.77 LIPE (0.40) ALDH1A1RAB9ANPC1ABCG2HIF1A
SCHEMBL26599940 0.77 HIF1A (0.38) MEN1KMT2AMAPTHIF1A
SCHEMBL24126531 0.77 AKR1C3 (0.39) MEN1KMT2AMAPTHIF1A
SCHEMBL30569512 0.77 AKR1C3 (0.39) MEN1KMT2AMAPTHIF1A
SCHEMBL31675125 0.76 KMT2A (0.38) HPGDALDH1A1RAB9AKDM4EHTT
SCHEMBL26600136 0.76 KMT2A (0.38) HPGDALDH1A1RAB9AKDM4EHTT
SCHEMBL26599474 0.76 MEN1 (0.35) HPGDALDH1A1RAB9AKDM4EHTT

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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