SCHEMBL7334563

SCHEMBL7334563

c1ccc2c(c1)CCSCC2

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
HTR2C P28335 1/20 0.46
CES1 P23141 1/20 0.42
MAOB P27338 3/20 0.40
CYP2A6 P11509 1/20 0.40
PNMT P11086 1/20 0.40
CD44 P16070 1/20 0.40
MAOA P21397 3/20 0.39
DRD2 P14416 2/20 0.39
DRD1 P21728 2/20 0.39
DRD4 P21917 2/20 0.39
DRD5 P21918 2/20 0.39
DRD3 P35462 2/20 0.39
PLAU P00749 1/20 0.37
CYP1A2 P05177 1/20 0.35
ORAI1 Q96D31 1/20 0.35
ORAI2 Q96SN7 1/20 0.35
ORAI3 Q9BRQ5 1/20 0.35

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
SCHEMBL4860332 1.00 TSHR (0.53) TSHRHTR2CCES1MAOBCYP2A6
SCHEMBL7065099 0.89 TSHR (0.57) TSHRHTR2CCES1MAOBCYP2A6
SCHEMBL7062020 0.87 TSHR (0.62) TSHRHTR2CCES1MAOBCYP2A6
SCHEMBL255957 0.86 TSHR (0.46) TSHRHTR2CCES1MAOBCYP2A6
SCHEMBL7062021 0.82 TSHR (0.63) TSHRHTR2CCES1MAOBCYP2A6
Tetrahydrothiophene SCHEMBL17761203 0.80 TSHR (0.68) TSHRHTR2CCES1MAOBCYP2A6
SCHEMBL29351986 0.75
SCHEMBL33555 0.75
SCHEMBL34906 0.75
SCHEMBL4465325 0.75 TSHR (0.71) TSHRHTR2CCES1MAOBCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519428-B1 Cyclodextrin compositions with fumagillol derivates TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-09-20 EP disclosed
EP-1004318-A2 Cyclodextrin composition Takeda Chemical Industries, Ltd. (JP) 2000-05-31 EP disclosed
EP-0658342-B1 Antineoplastic pharmaceutical composition containing a fumagillol derivative and a platinum complex TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-03-17 EP disclosed
US-5846562-A Oral composition of fumagillol derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 US disclosed
US-5710148-A FUMAGILLOL DERIVATIVES SENJU PHARMACEUTICALS CO., LTD. (JP) 1998-01-20 US disclosed
EP-0799616-A1 Oral composition comprising a fumagillol derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-08 EP disclosed
EP-0602586-B1 Stable pharmaceutical composition of fumagillol derivatives TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-06-04 EP disclosed
EP-0461427-B1 Cyclodextrin complex TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-02-19 EP disclosed
EP-0730863-A2 A corneal opacification inhibitory composition comprising a fumagillol derivative Senju Pharmaceutical Co., Ltd. (JP) 1996-09-11 EP disclosed
US-5536623-A 6-O-/N-CHLOROACETYLCARBAMOYL/FUMAGILLOL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-16 US disclosed
US-5422363-A Therapy of cancer, diabetes and vision disorders TAKEDA CHEMICAL INDUSTRIES, INC. (JP) 1995-06-06 US disclosed
EP-0602586-A2 Stable pharmaceutical composition of fumagillol derivatives Takeda Chemical Industries, Ltd. (JP) 1994-06-22 EP disclosed
EP-0555693-A1 Method of producing highly watersoluble cyclodextrin complex TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-18 EP disclosed
US-5202352-A Antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-04-13 US disclosed
US-5196406-A Antitumor, antiinflammatory TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-03-23 US disclosed
US-5180735-A Antitumor agents, angiogenesis inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-01-19 US disclosed
EP-0519428-A2 Cyclodextrin composition TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-23 EP disclosed
EP-0470569-A1 Intravascular embolizing agent containing angiogenesis inhibiting substance Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
EP-0461427-A2 Cyclodextrin complex Takeda Chemical Industries, Ltd. (JP) 1991-12-18 EP disclosed
EP-0415294-A2 Cyclohexanol derivatives, production and use thereof Takeda Chemical Industries, Ltd. (JP) 1991-03-06 EP disclosed