SCHEMBL460668

SCHEMBL460668

C=CCc1cccc(S(=O)(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ TSHR P16473 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CNR2 P34972 3/20 0.46
▸ GABRA1 P14867 3/20 0.46
▸ GABRB2 P47870 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ CNR1 P21554 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ PPARG P37231 2/20 0.46
▸ PPARD Q03181 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH2 P05091 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ XDH P47989 1/20 0.43

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
SCHEMBL537335 0.85 HTR6 (0.50) ALDH1A1TSHRCNR2GABRA1GABRB2
Allylbenzene SCHEMBL16384682 0.84 TSHR (0.59) ALDH1A1TSHRTDP1CNR2GABRA1
SCHEMBL18362297 0.82 CNR2 (0.44) ALDH1A1HSD17B10CNR2GABRA1GABRB2
Allylbenzene SCHEMBL27389470 0.82 TSHR (0.57) ALDH1A1TSHRTDP1CNR2GABRA1
SCHEMBL6576001 0.79 ALDH1A1 (0.52) ALDH1A1TSHRTDP1HSD17B10KDM4E
SCHEMBL698195 0.79 TSHR (0.52) ALDH1A1TSHRTDP1HSD17B10MAPT
SCHEMBL28227154 0.79 XDH (0.44) ALDH1A1TSHRTDP1HSD17B10CNR2
SCHEMBL21726593 0.79 TSHR (0.55) ALDH1A1TSHRTDP1HSD17B10SMN1; SMN2
SCHEMBL28227233 0.78 XDH (0.43) ALDH1A1TDP1HSD17B10CNR2GABRA1
SCHEMBL87584 0.77 TDP1 (0.55) ALDH1A1TSHRTDP1HSD17B10CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112850685-B Two-dimensional carbon material and preparation method and application thereof 厦门稀土材料研究所 2022-10-18 — — CN disclosed
CN-112850685-A Two-dimensional carbon material and preparation method and application thereof 厦门稀土材料研究所 2021-05-28 — — CN disclosed
EP-3638756-A1 VISCOELASTIC, SOLID-STATE SURFACTANT COMPOSITION HAVING A HIGH SURFACTANT CONTENT Henkel AG & Co. KGaA (DE) 2020-04-22 — — EP disclosed
EP-3638755-A1 VISCOELASTIC SOLID SURFACTANT COMPOSITION HAVING A HIGH SURFACTANT CONTENT Henkel AG & Co. KGaA (DE) 2020-04-22 — — EP disclosed
EP-3497194-A1 NEW ANIONIC SURFACTANTS AND DETERGENTS AND CLEANING AGENTS CONTAINING SAME Henkel AG & Co. KGaA (DE) 2019-06-19 — — EP disclosed
EP-3472285-A1 C8-10-ALKYLAMIDOALKYL BEATAINE AS ANTI-WRINKLE AGENT Henkel AG & Co. KGaA (DE) 2019-04-24 — — EP disclosed
EP-2595947-A1 METHOD FOR THE OXIDATION OF UNSATURATED ORGANIC COMPOUNDS Catexel Limited (GB) 2013-05-29 — — EP disclosed
WO-2012010842-A1 METHOD FOR THE OXIDATION OF UNSATURATED ORGANIC COMPOUNDS UNILEVER PLC (GB) 2012-01-26 — — WO disclosed
EP-1252243-B1 INTAGLIO PRINTING INKS HAVING IMPROVED DISPERSIBILITY AND CHEMICAL RESISTANCE CANADIAN BANK NOTE CO LTD (CA) 2006-02-15 — — EP disclosed
US-6846435-B1 Hydrolysis of organoaluminum compound using acid catalyst SASOL GERMANY GMBH (DE) 2005-01-25 — — US disclosed
WO-1999059942-A1 DIRECT PARAFFIN AND AROMATIC ALKYLATION AND PARAFFIN ISOMERIZATION MOBIL OIL CORPORATION (US) 1999-11-25 — — WO disclosed
EP-0694516-B1 Process of selective desulfonation KEMIRA AGRO OY (FI) 1999-09-29 — — EP disclosed
EP-0863121-A1 PROCESS FOR PREPARING m-HYDROXYALKYLBENZENE TAOKA CHEMICAL COMPANY, LIMITED (JP) 1998-09-09 — — EP disclosed
US-5741954-A Process of selective desulfonation KEMIRA AGRO OY (FI) 1998-04-21 — — US disclosed
EP-0694516-A2 Process of selective desulfonation Kemira Oyj (FI) 1996-01-31 — — EP disclosed
US-4670608-A CATALYTIC CHLORINATION OF 1-ALKYL-4-NITROBENZENE BAYER AKTIENGESELLSCHAFT (DE) 1987-06-02 — — US disclosed
EP-0030084-B1 METHOD FOR PREPARING PHENYLALKANES MOBIL OIL CORPORATION (US) 1983-05-18 — — EP disclosed
US-4301316-A BY ALKYLATION OF AN AROMATIC COMPOUND USING A ZEOLITE CATALYST MOBIL OIL CORPORATION (US) 1981-11-17 — — US disclosed
EP-0030084-A1 Method for preparing phenylalkanes MOBIL OIL CORPORATION (US) 1981-06-10 — — EP disclosed
US-4147649-A ETHYLENE OXIDE BRANCHED ALCOHOL ADDUCT, TRIETHANOL-AMMONIUM ALKYLBENZENESULFONATE THE PROCTER & GAMBLE COMPANY (US) 1979-04-03 — — US disclosed
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