SCHEMBL7734784

SCHEMBL7734784

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
ANPEP P15144 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARA Q07869 2/20 0.37
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP12 P39900 3/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
CTSL P07711 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL7734789 1.00 HDAC1 (0.42) HDAC1LMNAHPGDTAS1R3TAS1R1
SCHEMBL7741049 0.93 MEN1 (0.46) HDAC1LMNAHPGDTAS1R3TAS1R1
SCHEMBL7741044 0.93 MEN1 (0.46) HDAC1LMNAHPGDTAS1R3TAS1R1
SCHEMBL7742518 0.92 HDAC1 (0.41) HDAC1LMNAHPGDTAS1R3TAS1R1
SCHEMBL7742522 0.92 HDAC1 (0.41) HDAC1LMNAHPGDTAS1R3TAS1R1
SCHEMBL7742479 0.91 CTSL (0.46) HDAC1TAS1R3TAS1R1ANPEPMEN1
SCHEMBL7740897 0.91 HDAC1 (0.40) HDAC1LMNAHPGDTAS1R3TAS1R1
SCHEMBL7742477 0.91 CTSL (0.46) HDAC1TAS1R3TAS1R1ANPEPMEN1
SCHEMBL7740900 0.91 HDAC1 (0.40) HDAC1LMNAHPGDTAS1R3TAS1R1
SCHEMBL7735223 0.90 RAB9A (0.49) HDAC1HPGDTAS1R3TAS1R1ANPEP

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