SCHEMBL7740826

SCHEMBL7740826

Cc1ccc(C#Cc2ccc(C(=O)NCCCC(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
POLB P06746 2/20 0.56
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
FFAR1 O14842 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
EPHX2 P34913 1/20 0.49
FABP4 P15090 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SOST Q9BQB4 1/20 0.47
MMP13 P45452 1/20 0.47

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
SCHEMBL7735007 0.91 MAPK1 (0.72) MAPK1POLBLMNAL3MBTL1CA1
SCHEMBL7734972 0.86 HDAC1 (0.58) L3MBTL1
SCHEMBL1938690 0.85 MAPK1 (0.84) MAPK1POLBLMNAL3MBTL1CA1
SCHEMBL13814815 0.85 MAPK1 (0.84) MAPK1POLBLMNAL3MBTL1CA1
SCHEMBL9717451 0.83 MAPK1 (0.85) MAPK1POLBLMNACA1CA2
SCHEMBL279993 0.81 LMNA (0.71) MAPK1POLBLMNAL3MBTL1CA1
SCHEMBL7741075 0.81 MAPK1 (0.55) MAPK1POLBCA1CA2NPC1
SCHEMBL7742630 0.81 FFAR1 (0.49) MAPK1LMNAFFAR1CYP1A2CYP2C19
SCHEMBL19133523 0.78 LMNA (0.71) MAPK1POLBLMNAL3MBTL1NPC1
SCHEMBL16151555 0.78 RAB9A (0.76) POLBLMNAFFAR1NPC1RAB9A

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
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
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
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed