SCHEMBL27640916

SCHEMBL27640916

CCNCC(=O)O.CN(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 7/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CNR2 P34972 1/20 0.41
THRB P10828 2/20 0.41
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 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
Biphenyl SCHEMBL243327 0.81 MMP12 (0.49) RAB9AHPGDNPC1ALDH1A1MAPT
Butyric Acid SCHEMBL27839710 0.79 TP53 (0.55) RAB9AHPGDNPC1ALDH1A1MAPT
SCHEMBL7502932 0.79 PPIB (0.50) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
Bicarbonate SCHEMBL7649134 0.76 HPGD (0.64) RAB9AHPGDNPC1ALDH1A1MAPT
Sebacic Acid SCHEMBL28488143 0.76 MAPT (0.55) RAB9AHPGDNPC1ALDH1A1MAPT
SCHEMBL41068 0.76
SCHEMBL23610315 0.75 ALDH1A1 (0.50) RAB9AHPGDNPC1ALDH1A1MAPT
SCHEMBL27737468 0.75 RAB9A (0.53) RAB9AHPGDNPC1ALDH1A1MAPT
Oxalic Acid SCHEMBL11574387 0.74 HPGD (0.61) RAB9AHPGDNPC1ALDH1A1MAPT
Acetic Acid SCHEMBL2680615 0.74 RAB9A (0.61) RAB9AHPGDNPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103145715-B Huge ring carboxylic acid and acyl sulfonamides as HCV replication inhibitors F·霍夫曼-罗须公司 2016-08-03 CN disclosed
CN-103415286-A Compounds and methods for treating pain AKRON MOLECULES GMBH 2013-11-27 CN disclosed
CN-1889970-B Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication INTERMUNE INC 2012-06-13 CN disclosed
CN-101102787-A Synthetic hyperglycosylated, and hyperglycosylated protease-resistant polypeptide variants, oral formulations and methods of using the same ALIOS BIOPHARMA INC (US) 2008-01-09 CN disclosed
CN-101039957-A Synthetic chemokine receptor ligands and methods of use thereof INTERMUNE INC (US) 2007-09-19 CN disclosed
CN-1889970-A Macrocyclic carboxylic acids and acylsulfonamides as inhibitors of HCV replication INTERMUNE INC (US) 2007-01-03 CN disclosed