SCHEMBL7863953

SCHEMBL7863953

CC(C)CCCCCOc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
HRH3 Q9Y5N1 12/20 0.49
ALDH3A1 P30838 1/20 0.47
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 1/20 0.46
SIGMAR1 Q99720 2/20 0.46

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
SCHEMBL7861361 1.00 RARB (0.54) RARBTDP1HRH3ALDH3A1DRD2
SCHEMBL7862607 0.98 RARB (0.55) RARBTDP1HRH3ALDH3A1DRD2
SCHEMBL13251235 0.92 TDP1 (0.53) RARBTDP1HRH3ALDH3A1DRD2
SCHEMBL16903841 0.86 TDP1 (0.66) TDP1DRD2DRD4DRD3KCNH2
SCHEMBL4025858 0.86 HRH3 (0.46) HRH3ALDH3A1DRD2DRD4DRD3
SCHEMBL30514014 0.84 HRH3 (0.61) HRH3ALDH3A1DRD2DRD4DRD3
SCHEMBL11815991 0.84 HRH3 (0.61) HRH3ALDH3A1DRD2DRD4DRD3
SCHEMBL7855892 0.83 RARB (0.55) RARBTDP1DRD2DRD4DRD3
SCHEMBL20021715 0.83 TDP1 (0.56) RARBTDP1
SCHEMBL12879356 0.82 RARB (0.58) RARBTDP1

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-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 EP disclosed
EP-0632031-B1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 2000-05-03 EP disclosed
EP-0546177-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1998-01-07 EP disclosed
US-5574061-A ANTILIPEMIC AGENT, ANTIATHEROSCLEROSIS, ACAT INHIBITOR TEIJIN LIMITED (JP) 1996-11-12 US disclosed
US-5496853-A FOR TREATING HYPERCHOLESTEROLEMIA TEIJIN LIMITED (JP) 1996-03-05 US disclosed
EP-0632031-A1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1995-01-04 EP disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed
EP-0546177-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1993-06-16 EP disclosed