SCHEMBL8804583

SCHEMBL8804583

Clc1ccc(CCC2CO2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TAAR1 Q96RJ0 2/20 0.45
ALOX5 P09917 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAOB P27338 2/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
ALDH1A1 P00352 1/20 0.39
AOC3 Q16853 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL8804058 0.88 KMT2A (0.47) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3262858 0.85 MEN1 (0.45) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2514751 0.79 TAAR1 (0.49) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28985490 0.79 ALOX5 (0.42) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL411370 0.79 TAAR1 (0.45) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19582798 0.79 TAAR1 (0.45) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14524332 0.79 ALOX5 (0.46) ALOX5KMT2AMEN1MAOBSLC6A2
SCHEMBL8803172 0.79 DRD4 (0.50) DRD4TAAR1ALOX5KMT2AMEN1
SCHEMBL17593201 0.79 TAAR1 (0.45) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8804536 0.79 TAAR1 (0.45) TAAR1ALOX5KMT2AMEN1SLC6A2

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 8 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
US-4272545-A FUNGICIDES, BACTERICIDE, ANTIPROTOZOA, SPERMATOCIDE SYNTEX (U.S.A.) INC. (US) 1981-06-09 US disclosed