SCHEMBL5524767

SCHEMBL5524767

c1ccc(C2CCCCC2)c(CC2CCC3OC3C2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.34
ATM Q13315 2/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRL1 P41146 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
PTGS2 P35354 1/20 0.31
SIGMAR1 Q99720 4/20 0.31
HTR2A P28223 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL16217679 0.83 CYP2D6 (0.36) ATMSLC6A2SLC6A4CYP2D6MEN1
SCHEMBL3546230 0.78 OPRL1 (0.31) KCNH2OPRL1ALDH1A1RAB9AHTR2A
SCHEMBL5902514 0.75 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL5271479 0.72 CCR3 (0.47) ALDH1A1SIGMAR1
SCHEMBL674077 0.68 PTGDR2 (0.42) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL477417 0.68 PTGDR2 (0.46) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL11754963 0.68 PTGDR2 (0.42) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL11265348 0.68 PTGDR2 (0.42) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL5283227 0.68 PTGDR2 (0.42) NAAAPTGDR2SLC6A2SLC6A4SLC6A3
SCHEMBL677543 0.68 PTGDR2 (0.42) NAAAPTGDR2SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179256-A1 High-purity alicyclic epoxy compound, process for production of the same, curable epoxy resin composition, cured product thereof, and application thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-08-02 US disclosed
EP-1726588-A1 HIGH-PURITY ALICYCLIC EPOXY COMPOUND, PROCESS FOR PRODUCING THE SAME, CURABLE EPOXY RESIN COMPOSITION, CURED ARTICLE THEREOF, AND USE Daicel Chemical Industries, Ltd. (JP) 2006-11-29 EP disclosed