SCHEMBL8805151

SCHEMBL8805151

COc1ccc(CCC2CO2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
DRD4 P21917 1/20 0.53
DRD3 P35462 1/20 0.53
TAAR1 Q96RJ0 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
PKM P14618 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
MAOB P27338 2/20 0.46
CALM1 P0DP23 1/20 0.46
AOC3 Q16853 1/20 0.44

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
SCHEMBL8803380 0.89 CALM1 (0.51) DRD2DRD4DRD3TAAR1SIGMAR1
SCHEMBL10697670 0.88 CALM1 (0.50) DRD2DRD4DRD3TAAR1SIGMAR1
SCHEMBL10686361 0.88 ALDH1A1 (0.50) DRD2DRD4DRD3TAAR1CALM1
SCHEMBL10686363 0.88 ALDH1A1 (0.50) DRD2DRD4DRD3TAAR1CALM1
SCHEMBL93324 0.85 MEN1 (0.45) DRD2DRD4DRD3
SCHEMBL8803573 0.82 NQO1 (0.48) DRD2DRD4DRD3
SCHEMBL11397736 0.82 MEN1 (0.43) DRD2DRD4DRD3PKMHRH3
SCHEMBL4821864 0.81 PKM (0.49) PKM
SCHEMBL5854038 0.80 TDP1 (0.47) PKMMAOB
SCHEMBL7238655 0.80 PKM (0.49) DRD2DRD4DRD3TAAR1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492474-B1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX INC (US) 1997-03-05 EP disclosed
US-5466838-A Catalytic reaction of olefin with oxygen in the presence of aldehyde SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-11-14 US disclosed
EP-0540009-B1 Process for producing epoxides SUMITOMO CHEMICAL CO (JP) 1995-08-30 EP disclosed
US-5367087-A Process for producing epoxide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-22 US disclosed
EP-0540009-A1 Process for producing epoxides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-05 EP disclosed
US-5158949-A 1,3-DIOXOLANE DERIVATIVES AS CHOLESTEROL-LOWERING AGENTS SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
EP-0492474-A1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX (U.S.A.) INC. (US) 1992-07-01 EP disclosed
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP disclosed
US-4209447-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-06-24 US disclosed
US-4139540-A FUNGICIDE, BACTERICIDE INTERMEDIATE JANSSEN PHARMACEUTICA N.V. (BE) 1979-02-13 US disclosed
US-4021454-A ALLYL CHLORIDE, HYDROCARBON HYDROPEROXIDE IN SILICON, TANTALUM OXIDE-HYDROXIDE SHELL OIL COMPANY (US) 1977-05-03 US disclosed
US-3936470-A FUNGICIDES, BACTERICIDES JANSSEN PHARMACEUTICA N.V. (BE) 1976-02-03 US disclosed