SCHEMBL9028373

SCHEMBL9028373

CC(N)c1ccccc1.CC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IDO1 P14902 2/20 0.46
SIGMAR1 Q99720 2/20 0.44
EPHX1 P07099 2/20 0.41
LMNA P02545 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MCOLN3 Q8TDD5 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
Isopropylbenzene SCHEMBL6568803 0.86 GAA (0.48) GAAL3MBTL1IDO1SIGMAR1EPHX1
SCHEMBL28855188 0.82 SIGMAR1 (0.43) GAAL3MBTL1IDO1SIGMAR1
SCHEMBL4916236 0.80 DPP4 (0.58) SIGMAR1LMNAADRA2AADRA2CHIF1A
SCHEMBL5559781 0.80 DPP4 (0.58) SIGMAR1LMNAADRA2AADRA2CHIF1A
SCHEMBL29380238 0.80
SCHEMBL24932018 0.80 DPP4 (0.58) SIGMAR1LMNAADRA2AADRA2CHIF1A
SCHEMBL42393 0.80
SCHEMBL42904 0.80
SCHEMBL5565016 0.80 DPP4 (0.58) SIGMAR1LMNAADRA2AADRA2CHIF1A
SCHEMBL830 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0535250-B1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO (JP) 1996-06-19 EP disclosed
EP-0705817-A1 New cannamide derivatives and their use as allergy inhibitors TSUMURA & CO. (JP) 1996-04-10 EP disclosed
US-5344845-A Methyl 4(4-acetoxy-3-methoxycinnamanide and salts as an immunosuppressive drug for allergic reactions TSUMURA & CO. (JP) 1994-09-06 US disclosed
EP-0535250-A1 NOVEL COMPOUNDS AND USE THEREOF AS MEDICINE TSUMURA & CO. (JP) 1993-04-07 EP disclosed