SCHEMBL7866210

SCHEMBL7866210

CCN(CC)c1ccc(CCCC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.44
AOC3 Q16853 1/20 0.44
ALDH1A1 P00352 5/20 0.44
GFER P55789 2/20 0.44
ESRRG P62508 2/20 0.44
TSHR P16473 2/20 0.44
RECQL P46063 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PSMD14 O00487 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
ESRRB O95718 1/20 0.40
GRIN2D O15399 1/20 0.40

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
SCHEMBL6313104 0.84 ALDH1A1 (0.54) CNR2AOC3ALDH1A1GFERESRRG
SCHEMBL13778838 0.84 ALDH1A1 (0.54) CNR2AOC3ALDH1A1GFERESRRG
SCHEMBL19732416 0.81 ALDH1A1 (0.56) CNR2ALDH1A1TSHRCYP3A4TDP1
SCHEMBL4407612 0.80 AOC3 (0.59) CNR2AOC3ALDH1A1GFERESRRG
SCHEMBL14174040 0.79 ALDH1A1 (0.53) CNR2ALDH1A1GFERTSHRRECQL
SCHEMBL21523216 0.78 NPC1 (0.42) CNR2ALDH1A1CYP3A4LMNAKDM4E
SCHEMBL31277094 0.78 TAAR1 (0.48) ALDH1A1TSHRL3MBTL1CYP3A4MAPK1
SCHEMBL9313769 0.77 ESR1 (0.57) CNR2ALDH1A1CYP3A4LMNAKDM4E
SCHEMBL9763681 0.77 AOC3 (0.50) CNR2AOC3ALDH1A1GFERESRRG
SCHEMBL17132053 0.77 ESR1 (0.57) CNR2ALDH1A1CYP3A4LMNAKDM4E

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 5 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-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
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