SCHEMBL29849782

SCHEMBL29849782

c1ccc(-c2ccccc2-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.41
▸ DCUN1D1 Q96GG9 2/20 0.39
▸ NISCH Q9Y2I1 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ DCUN1D2 Q6PH85 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ ABCB1 P08183 1/20 0.37

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
SCHEMBL3293807 0.97 PTGS2 (0.40) PTGS2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL9319701 0.87 ALDH1A1 (0.53) PTGS2ALDH1A1HSD17B10MAPK1BCL2L1
SCHEMBL28720090 0.87 ALDH1A1 (0.53) PTGS2ALDH1A1HSD17B10MAPK1BCL2L1
SCHEMBL18682233 0.87 ALDH1A1 (0.53) PTGS2ALDH1A1HSD17B10MAPK1BCL2L1
SCHEMBL3889979 0.87 ALDH1A1 (0.53) PTGS2ALDH1A1HSD17B10MAPK1BCL2L1
SCHEMBL20226006 0.86 ALDH1A1 (0.36) PTGS2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL13295272 0.84 ALDH1A1 (0.33) PTGS2ALDH1A1HSD17B10MAPK1HPGD
SCHEMBL15975759 0.84 ALDH1A1 (0.47) PTGS2ALDH1A1HSD17B10MAPK1BCL2L1
SCHEMBL3898149 0.84 ALDH1A1 (0.56) PTGS2ALDH1A1HSD17B10MAPK1BCL2L1
SCHEMBL13295269 0.84 ALDH1A1 (0.56) PTGS2ALDH1A1HSD17B10MAPK1BCL2L1

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
CN-115084398-A Light-emitting device and electronic device including heterocyclic compound 三星显示有限公司 2022-09-20 — — CN disclosed
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