SCHEMBL7739629

SCHEMBL7739629

CCCCOc1ccc(C(=O)NCCCC(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.67
RAB9A P51151 4/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
MAPT P10636 3/20 0.66
SMN1; SMN2 Q16637 4/20 0.61
MAPK1 P28482 1/20 0.60
MMP1 P03956 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.56

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
SCHEMBL3197299 0.93 NPC1 (0.69) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL11758728 0.88 NPC1 (0.77) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3209637 0.87 NPC1 (0.69) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7742610 0.86 MMP1 (0.73) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7742636 0.85 GAA (0.65) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL9490019 0.85 NPC1 (0.72) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL11758823 0.85 NPC1 (0.72) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL12894669 0.84 MMP1 (0.74) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL28570651 0.84 NPC1 (0.68) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2678159 0.84 NPC1 (0.77) NPC1RAB9AKMT2ASMN1; SMN2MAPK1

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
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US claimed
CN-1282319-A Aminobutanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 2001-01-31 CN claimed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP claimed
US-6420427-B1 PREVENTION AND/OR TREATMENT OF RHEUMATOID DISEASES, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS, INTERSTITIAL NEPHRITIS, ARTERIOSCLEROSIS, PULMONARY EMPHYSEMA, CIRRHOSIS, CORNEA INJURY ONO PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
CN-1282319-A Aminobutanoic acid derivatives ONO PHARMACEUTICAL CO (JP) 2001-01-31 CN disclosed
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed