SCHEMBL7741044

SCHEMBL7741044

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MMP13 P45452 1/20 0.44
HDAC1 Q13547 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
ANPEP P15144 1/20 0.40
P2RY14 Q15391 1/20 0.40
PIN1 Q13526 1/20 0.40
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
MMP12 P39900 2/20 0.37
CTSL P07711 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL7741049 1.00 MEN1 (0.46) MEN1KMT2AMMP13HDAC1TAS1R3
SCHEMBL7734789 0.93 HDAC1 (0.42) MEN1KMT2AHDAC1TAS1R3TAS1R1
SCHEMBL7734784 0.93 HDAC1 (0.42) MEN1KMT2AHDAC1TAS1R3TAS1R1
SCHEMBL7742522 0.92 HDAC1 (0.41) MEN1KMT2AHDAC1TAS1R3TAS1R1
SCHEMBL7742518 0.92 HDAC1 (0.41) MEN1KMT2AHDAC1TAS1R3TAS1R1
SCHEMBL7741022 0.92 TAS1R3 (0.39) MEN1KMT2AMMP13TAS1R3TAS1R1
SCHEMBL7741021 0.92 TAS1R3 (0.39) MEN1KMT2AMMP13TAS1R3TAS1R1
SCHEMBL7740897 0.91 HDAC1 (0.40) MEN1KMT2AHDAC1TAS1R3TAS1R1
SCHEMBL7742479 0.91 CTSL (0.46) MEN1KMT2AHDAC1TAS1R3TAS1R1
SCHEMBL7740900 0.91 HDAC1 (0.40) MEN1KMT2AHDAC1TAS1R3TAS1R1

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