SCHEMBL7742522

SCHEMBL7742522

CCOCOC[C@H](C[C@H](Cc1cccc(OC)c1)C(=O)NO)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
MDM2 Q00987 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
ANPEP P15144 1/20 0.40
CNR1 P21554 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
CTSB P07858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PPARA Q07869 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 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
SCHEMBL7742518 1.00 HDAC1 (0.41) HDAC1MDM2TAS1R3TAS1R1ALDH1A1
SCHEMBL7734789 0.92 HDAC1 (0.42) HDAC1TAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL7741049 0.92 MEN1 (0.46) HDAC1TAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL7741044 0.92 MEN1 (0.46) HDAC1TAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL7734784 0.92 HDAC1 (0.42) HDAC1TAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL7741237 0.90 CNR1 (0.41) HDAC1CNR1HTTPPARA
SCHEMBL7741235 0.90 CNR1 (0.41) HDAC1CNR1HTTPPARA
SCHEMBL7740897 0.90 HDAC1 (0.40) HDAC1TAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL7740900 0.90 HDAC1 (0.40) HDAC1TAS1R3TAS1R1ALDH1A1LMNA
SCHEMBL7742479 0.90 CTSL (0.46) HDAC1TAS1R3TAS1R1ANPEPKMT2A

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