SCHEMBL7628167

SCHEMBL7628167

N=C(N)NCCCC(NC1CC1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALB P02768 1/20 0.35
▸ C3AR1 Q16581 1/20 0.34
▸ CPB2 Q96IY4 4/20 0.33
▸ CPN1 P15169 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FOLH1 Q04609 1/20 0.32
▸ NPY4R P50391 3/20 0.31
▸ NPY1R P25929 2/20 0.31
▸ NPY2R P49146 2/20 0.31
▸ NPY5R Q15761 2/20 0.31
▸ OTC P00480 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
SCHEMBL1345737 1.00 EPHX2 (0.37) EPHX2SMN1; SMN2ALBC3AR1CPB2
SCHEMBL27632265 0.93 SMN1; SMN2 (0.45) EPHX2SMN1; SMN2CPB2
SCHEMBL29827128 0.82 SMN1; SMN2 (0.42) EPHX2SMN1; SMN2C3AR1CPB2MEN1
SCHEMBL30068909 0.80 ALOX15 (0.39) SMN1; SMN2C3AR1ALOX15ITGB3ITGA2B
SCHEMBL29836396 0.80 ALOX15 (0.39) SMN1; SMN2C3AR1ALOX15ITGB3ITGA2B
SCHEMBL466294 0.79 C3AR1 (0.40) EPHX2SMN1; SMN2C3AR1ALOX15ITGB3
SCHEMBL8164682 0.79 C3AR1 (0.40) EPHX2SMN1; SMN2C3AR1ALOX15ITGB3
SCHEMBL7196910 0.79 GNPAT (0.46) SMN1; SMN2C3AR1ALOX15ITGB3ITGA2B
SCHEMBL408774 0.79 GNPAT (0.46) SMN1; SMN2C3AR1ALOX15ITGB3ITGA2B
SCHEMBL12971304 0.79 C3AR1 (0.43) EPHX2SMN1; SMN2C3AR1ALOX15ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1660433-B Combination of treating and/or preventing hemorrhoid ZHENJUN WANG 2011-09-07 — — CN claimed
CN-1660428-B New application of synthase inhibitor of nitric in use for treating hemorrhoid ZHENJUN WANG 2011-09-07 — — CN claimed
CN-1234707-C Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science CHINESE PHARMACEUTICAL UNIVERS (CN) 2006-01-04 — — CN claimed
CN-1660433-A Combination of treating and/or preventing hemorrhoid WANG ZHENJUN (CN) 2005-08-31 — — CN claimed
CN-1660428-A New application of synthase inhibitor of nitric in use for treating hemorrhoid WANG ZHENJUN (CN) 2005-08-31 — — CN claimed
CN-1439641-A Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science CHINESE PHARMACEUTICAL UNIV (CN) 2003-09-03 — — CN claimed
US-20020081277-A1 Methods and compositions for enhancing the immunostimulatory effect of interleukin-12 NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR, NIH 2002-06-27 — — US claimed
US-6375944-B1 Methods and compositions for enhancing the immunostimulatory effect of interleukin-12 THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY 2002-04-23 — — US claimed
CN-1660433-B Combination of treating and/or preventing hemorrhoid ZHENJUN WANG 2011-09-07 — — CN disclosed
CN-1660428-B New application of synthase inhibitor of nitric in use for treating hemorrhoid ZHENJUN WANG 2011-09-07 — — CN disclosed
CN-1234707-C Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science CHINESE PHARMACEUTICAL UNIVERS (CN) 2006-01-04 — — CN disclosed
CN-1660428-A New application of synthase inhibitor of nitric in use for treating hemorrhoid WANG ZHENJUN (CN) 2005-08-31 — — CN disclosed
CN-1660433-A Combination of treating and/or preventing hemorrhoid WANG ZHENJUN (CN) 2005-08-31 — — CN disclosed
CN-1439641-A Anti-cancer chemicals of methotrexate derivatives and their uses in pharmaceutical science CHINESE PHARMACEUTICAL UNIV (CN) 2003-09-03 — — CN disclosed
US-20020081277-A1 Methods and compositions for enhancing the immunostimulatory effect of interleukin-12 NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR, NIH 2002-06-27 — — US disclosed
US-6375944-B1 Methods and compositions for enhancing the immunostimulatory effect of interleukin-12 THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY 2002-04-23 — — US disclosed
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