SCHEMBL29528810

SCHEMBL29528810

CCCCCCCC(=O)c1ccc(Sc2ccc(C=CC(=O)c3ccc(N(C)C)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR9 Q9NR96 3/20 0.54
▸ CRHBP P24387 1/20 0.54
▸ CRHR2 Q13324 1/20 0.54
▸ MAOB P27338 2/20 0.54
▸ MAPT P10636 5/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CYP1B1 Q16678 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ TUBB4A P04350 2/20 0.47
▸ TUBB P07437 2/20 0.47
▸ TUBA3C P0DPH7 2/20 0.47
▸ TUBA1B P68363 2/20 0.47
▸ TUBA4A P68366 2/20 0.47
▸ TUBB4B P68371 2/20 0.47

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
SCHEMBL29528251 0.85 F3 (0.59) MAOBMAPTKMT2ANPC1RAB9A
SCHEMBL29528369 0.80 TUBB4A (0.47) MAPTKMT2ATUBB4ATUBBTUBA3C
SCHEMBL8139107 0.79 HSD17B3 (0.67) HSD17B3
SCHEMBL10883603 0.79 HSD17B3 (0.67) HSD17B3
SCHEMBL10999955 0.79 HSD17B3 (0.67) HSD17B3
SCHEMBL28639513 0.79 MAPT (0.47) TLR9CRHBPCRHR2MAOBMAPT
SCHEMBL29528484 0.79 TUBB4A (0.46) MAOBMAPTKMT2ATUBB4ATUBB
SCHEMBL10870849 0.78 HSD17B3 (0.69) MAPTL3MBTL1LMNATDP1HSD17B3
SCHEMBL10871547 0.78 HSD17B3 (0.69) MAPTL3MBTL1LMNATDP1HSD17B3
SCHEMBL10870718 0.78 HSD17B3 (0.69) MAPTL3MBTL1LMNATDP1HSD17B3

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-113444017-B Diphenyl-sulfide-ether-ketone oxime ester compound, preparation method, composition and application 优禘股份有限公司 2022-05-13 — — CN disclosed
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