SCHEMBL7833221

SCHEMBL7833221

CC1=C(C(=O)O)SCCO1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
RAB9A P51151 5/20 0.40
KMT2A Q03164 8/20 0.39
MEN1 O00255 5/20 0.39
NPC1 O15118 4/20 0.39
POLB P06746 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ADRB2 P07550 1/20 0.34

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
SCHEMBL3967541 0.82 MAPK1 (0.51) MAPK1HSD17B10RAB9AKMT2AMEN1
SCHEMBL3805634 0.82 MAPK1 (0.51) MAPK1HSD17B10RAB9AKMT2AMEN1
SCHEMBL8930247 0.79 MAPK1 (0.60) MAPK1HSD17B10RAB9AKMT2AMEN1
SCHEMBL11488683 0.78 MAPK1 (0.40) MAPK1HSD17B10
SCHEMBL8440916 0.76 MAPK1 (0.47) MAPK1HSD17B10RAB9AKMT2AMEN1
SCHEMBL8930182 0.75 MAPK1 (0.39) MAPK1HSD17B10RAB9AKMT2AMEN1
SCHEMBL7596951 0.73 MAPK1 (0.58) MAPK1HSD17B10RAB9AKMT2AMEN1
Carboxin SCHEMBL8819780 0.73 MAPK1 (1.00) MAPK1HSD17B10RAB9AKMT2AMEN1
SCHEMBL17471577 0.72 MAPK1 (0.57) MAPK1HSD17B10RAB9AKMT2ANPC1
SCHEMBL8930142 0.72 MAPK1 (0.70) MAPK1HSD17B10RAB9AKMT2AMEN1

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-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5693827-A Treatment of HIV infections and compounds useful therein UNIROYAL CHEMICAL COMPANY, INC. 1997-12-02 US disclosed
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP disclosed
US-5268389-A Containing a benzene ring UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-12-07 US disclosed
EP-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP disclosed
US-5075488-A Fungicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-12-24 US disclosed
EP-0128006-B1 A SOIL-DISEASE-CONTROLLING AGENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO disclosed
US-4709052-A FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-11-24 US disclosed
EP-0128006-A2 A soil-disease-controlling agent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-12 EP disclosed
US-RE31693-E Synergistic fungicidal compositions containing 1,2,4-triazole derivatives BAYER AKTIENGESELLSCHAFT (DE) 1984-10-02 US disclosed
US-4251512-A Synergistic fungicidal compositions containing 1,2,4-triazole derivatives BAYER AKTIENGESELLSCHAFT (DE) 1981-02-17 US disclosed
US-4207234-A 4-Unsubstituted azetidinone derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-06-10 US disclosed
US-4156001-A Synergistic fungicidal compositions containing 1,2,4-trizole derivatives and 2,4-dichloro-6-(o-chloroanilino)-1,3,5-triazine BAYER AKTIENGESELLSCHAFT (DE) 1979-05-22 US disclosed
US-4041164-A ALUMINUM CHELATES OF A HYDROXY-QUINONE HOECHST AKTIENGESELLSCHAFT (DT) 1977-08-09 US disclosed