SCHEMBL3177576

SCHEMBL3177576

CCCC(=O)c1cccs1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.77
▸ ALDH1A1 P00352 4/20 0.77
▸ NPC1 O15118 2/20 0.77
▸ RAB9A P51151 2/20 0.77
▸ MEN1 O00255 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ POLB P06746 1/20 0.77
▸ HPGD P15428 3/20 0.61
▸ PKM P14618 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ MAPK1 P28482 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ CTNNB1 P35222 6/20 0.60
▸ WNT3A P56704 5/20 0.60
▸ GSK3B P49841 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ HDAC1 Q13547 1/20 0.56
▸ ERCC5 P28715 1/20 0.55

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
SCHEMBL3176357 0.89 LMNA (0.71) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL2216212 0.87 ALDH1A1 (1.00) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL3192172 0.87 HPGD (0.70) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL2787821 0.85 HPGD (0.73) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL8972518 0.85 HPGD (0.73) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL23859828 0.85 HPGD (0.73) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL9046710 0.85 HPGD (0.73) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL3183371 0.85 HPGD (0.73) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL6412764 0.85 LMNA (0.61) LMNAALDH1A1NPC1RAB9AMEN1
SCHEMBL1232758 0.83 — —

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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4000328-A COFFEE, THIOPHENE KETONES FIRMENICH & CIE (CH) 1976-12-28 — — US claimed
CN-116535297-A Green intermittent and continuous method and system for preparing aromatic ketone by photocatalytic molecular oxygen oxidation 大连理工大学 2023-08-04 — — CN disclosed
CN-115650830-A Method for preparing alpha-substituted methyl ketone from terminal olefin 长沙资材科技有限公司 2023-01-31 — — CN disclosed
CN-114292247-A Disulfide compound and method for catalyzing benzyl oxidation of alkyl aromatic compound by using disulfide compound 大连理工大学 2022-04-08 — — CN disclosed
CN-112010881-B Alkenyl boron compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2021-09-03 — — CN disclosed
CN-112010881-A Alkenyl boron compound and preparation method and application thereof 中国科学院兰州化学物理研究所 2020-12-01 — — CN disclosed
CN-107759450-B Method for synthesizing alpha, beta-unsaturated ketone compound from dimethyl sulfoxide and ketone compound 沅江华龙催化科技有限公司 2020-08-14 — — CN disclosed
US-9315516-B2 Benzodithiophene derivatives and their use as photoluminescent compounds ENI S.P.A. (IT) 2016-04-19 — — US disclosed
US-9315516-B2 Benzodithiophene derivatives and their use as photoluminescent compounds ENI S.P.A. (IT) 2016-04-19 — — US disclosed
US-9315516-B2 Benzodithiophene derivatives and their use as photoluminescent compounds ENI S.P.A. (IT) 2016-04-19 — — US disclosed
US-4126618-A FLAVOR ADDITIVES FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1978-11-21 — — US disclosed
US-4085109-A Pyridine sulfur flavoring agents FIRMENICH & CIE (CH) 1978-04-18 — — US disclosed
US-4000328-A COFFEE, THIOPHENE KETONES FIRMENICH & CIE (CH) 1976-12-28 — — US disclosed
US-3989713-A Pyrrylmethylthio flavoring agents FIRMENICH & CIE (CH) 1976-11-02 — — US disclosed
US-3952026-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 — — US disclosed
US-3952024-A FLAVOR ADDITIVE FOR FOODS AND BEVERAGES FIRMENICH & CIE (CH) 1976-04-20 — — US disclosed
US-3943260-A TETRAHYDRO-THIO-PHEN-3-ONES FIRMENICH & CIE (CH) 1976-03-09 — — US disclosed
US-3931166-A FLAVORANTS FIRMENICH & CIE (CH) 1976-01-06 — — US disclosed
US-3931246-A FURYLALKYL-THIOETHERS FIRMENICH & CIE (CH) 1976-01-06 — — US disclosed
US-3931245-A FURYLALKYLTHIOL CARBOXYLATES FIRMENICH & CIE (CH) 1976-01-06 — — US disclosed
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