SCHEMBL8464142

SCHEMBL8464142

CC(C)(C)C(=O)C=CC(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 4/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
NPC1 O15118 3/20 0.38
LMNA P02545 3/20 0.38
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
THRB P10828 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.32
KEAP1 Q14145 1/20 0.30

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
SCHEMBL8464139 1.00 ALDH1A1 (0.39) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL15081526 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL3237721 0.87 TSHR (0.53) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL3237734 0.87 TSHR (0.53) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL13762351 0.87 TSHR (0.53) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL15081437 0.87 ALDH1A1 (0.38) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL24782805 0.85 GAA (0.37) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL8084069 0.83
SCHEMBL9859971 0.83
SCHEMBL2617046 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741145-B1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL CO (JP) 1999-12-29 EP disclosed
EP-0741145-A1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-11-06 EP disclosed
EP-0121838-B1 PROCESS FOR THE PREPARATION OF 1,4-SUBSTITUTED 2-BUTENE-1,4-DIONES BASF Aktiengesellschaft (DE) 1986-02-26 EP disclosed
US-4513150-A Preparation of but-2-ene-1,4-diones substituted in the 1,4-positions BASF AKTIENGESELLSCHAFT (DE) 1985-04-23 US disclosed
EP-0121838-A1 Process for the preparation of 1,4-substituted 2-butene-1,4-diones BASF Aktiengesellschaft (DE) 1984-10-17 EP disclosed
EP-0032290-B1 PROCESS FOR THE PREPARATION OF 1,4-DIALKYLBUT-2-ENE-1,4-DIONES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-03-14 EP disclosed
US-4340764-A OXIDIZING 2,5-DIALKYLFURAN IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-07-20 US disclosed
US-4289526-A FUNGICIDES, HERBICIDES, BACTERICIDES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-09-15 US disclosed
EP-0032290-A2 Process for the preparation of 1,4-dialkylbut-2-ene-1,4-diones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-22 EP disclosed
US-4277469-A FUNGICIDES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-07-07 US disclosed
EP-0023756-A2 Triazol and imidazol derivatives; processes for their preparation, pesticidal compositions containing them and their use; preparation of intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-02-11 EP disclosed
US-4246020-A Imidazole and triazole compounds, fungicidal and plant growth regulating compositions, method of combating fungal infections in plants and method of regulating plant growth IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-01-20 US disclosed
US-4217129-A Fungicidal and herbicidal triazole ketones IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-12 US disclosed
EP-0009298-A1 Heterocyclic compounds, processes for their preparation, pesticidal compositions containing them and methods of combating pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-02 EP disclosed
EP-0002331-A2 Imidazole and triazole compounds, fungicidal and plant growth regulating compositions, method of combating fungal infections in plants and method of regulating plant growth IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-06-13 EP disclosed
US-4130409-A FUNGICIDE, PLANT GROWTH REGULATOR IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-12-19 US disclosed