SCHEMBL7735223

SCHEMBL7735223

CCOCOCC(CC(Cc1cccc(OC)c1)C(=O)NO)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CTSL P07711 2/20 0.40
HDAC1 Q13547 1/20 0.39
BACE1 P56817 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ANPEP P15144 1/20 0.38
PIN1 Q13526 1/20 0.38
CTSD P07339 1/20 0.38
SMPD1 P17405 1/20 0.37
CTSG P08311 1/20 0.37
GPR139 Q6DWJ6 1/20 0.37

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
SCHEMBL7735224 1.00 RAB9A (0.49) RAB9AL3MBTL1TAS1R3TAS1R1CTSL
SCHEMBL7734784 0.90 HDAC1 (0.42) TAS1R3TAS1R1CTSLHDAC1KDM4E
SCHEMBL7734789 0.90 HDAC1 (0.42) TAS1R3TAS1R1CTSLHDAC1KDM4E
SCHEMBL7741049 0.90 MEN1 (0.46) TAS1R3TAS1R1CTSLHDAC1KDM4E
SCHEMBL7741044 0.90 MEN1 (0.46) TAS1R3TAS1R1CTSLHDAC1KDM4E
SCHEMBL7742518 0.89 HDAC1 (0.41) TAS1R3TAS1R1HDAC1KDM4EMEN1
SCHEMBL7742522 0.89 HDAC1 (0.41) TAS1R3TAS1R1HDAC1KDM4EMEN1
SCHEMBL7742647 0.89 CTSG (0.46) RAB9AL3MBTL1CTSLPIN1CTSG
SCHEMBL7742643 0.89 CTSG (0.46) RAB9AL3MBTL1CTSLPIN1CTSG
SCHEMBL7740897 0.88 HDAC1 (0.40) TAS1R3TAS1R1CTSLHDAC1KDM4E

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