SCHEMBL8398705

SCHEMBL8398705

Cc1ccccc1Cc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
ALDH1A1 P00352 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C9 P11712 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL28090271 0.85 ALDH1A1 (0.47) POLBALDH1A1GLAHPGDCYP2C9
SCHEMBL30505689 0.85 CYP2C9 (0.50) POLBHPGDCYP2C9MEN1KMT2A
SCHEMBL28745656 0.85 ALDH1A1 (0.46) POLBALDH1A1GLAHPGDCYP2C9
SCHEMBL23192488 0.82 POLB (0.49) POLBALDH1A1HPGDTP53MEN1
SCHEMBL7797344 0.80 CYP2C9 (0.47) POLBALDH1A1HPGDCYP2C9MEN1
SCHEMBL10784087 0.79 ALDH1A1 (0.48) POLBALDH1A1HPGDCYP2C9KMT2A
SCHEMBL14812208 0.79 HPGD (0.48) ALDH1A1HPGDCYP2C9MEN1KMT2A
SCHEMBL13555693 0.78 CYP1A2 (0.63) POLBALDH1A1MEN1KMT2AGAA
SCHEMBL28998728 0.78 POLB (0.47) POLBALDH1A1GLAHPGDGAA
SCHEMBL30049391 0.77 GAA (0.45) POLBALDH1A1CYP2C9MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4661619-A TREATMENT OF AROMATIC MERCAPTAN WITH CARBON MONOXIDE AND WATER OR ALCOHOL AND COBALT CARBONYL CATALYST THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1987-04-28 US claimed
CN-118974010-A Method for decomposing polyether-ether-ketone and novel material using decomposition product obtained by the decomposition method as raw material 国立研究开发法人产业技术综合研究所 2024-11-15 CN disclosed
WO-2023190767-A1 POLYETHER ETHER KETONE DECOMPOSITION METHOD AND NOVEL SUBSTANCE USING STARTING MATERIAL THAT IS DECOMPOSITION PRODUCT OBTAINED BY THIS DECOMPOSITION METHOD 国立研究開発法人産業技術総合研究所 2023-10-05 WO disclosed
CN-108530331-B Method for catalyzing addition reaction of phenyl isocyanate or phenyl isothiocyanate and mercaptan 苏州大学 2020-05-01 CN disclosed
US-5994563-A THIOPHENE DERIVATIVES, IMMUNOSUPPRESSANTS ORTHO PHARMACEUTICAL CORPORATION (US) 1999-11-30 US disclosed
WO-1997042192-A1 IMIDAZOQUINAZOLINES, AGENTS CONTAINING THEM AND THEIR USE TO COMBAT FUNGI AND ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-11-13 WO disclosed
EP-0146291-B1 PROCESS FOR THE PRODUCTION OF CARBOXYLIC ACIDS AND/OR ESTERS THEREOF The British Petroleum Company p.l.c. (GB) 1988-01-13 EP disclosed
US-4661619-A TREATMENT OF AROMATIC MERCAPTAN WITH CARBON MONOXIDE AND WATER OR ALCOHOL AND COBALT CARBONYL CATALYST THE BRITISH PETROLEUM COMPANY P.L.C. (GB) 1987-04-28 US disclosed
EP-0146291-A1 Process for the production of carboxylic acids and/or esters thereof The British Petroleum Company p.l.c. (GB) 1985-06-26 EP disclosed