SCHEMBL7741407

SCHEMBL7741407

C=CCC(CC(COCOCC)NC(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
EPHX2 P34913 2/20 0.38
PPARG P37231 1/20 0.38
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MME P08473 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TRPA1 O75762 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRIK3 Q13003 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL7741410 1.00 HTT (0.46) HTTEPHX2PPARGTAS1R3TAS1R1
SCHEMBL7739759 0.91 HPGD (0.40) HTTPPARGTAS1R3TAS1R1LMNA
SCHEMBL7739766 0.91 HPGD (0.40) HTTPPARGTAS1R3TAS1R1LMNA
SCHEMBL7734846 0.90 HTT (0.44) HTTEPHX2TAS1R3TAS1R1LMNA
SCHEMBL7734841 0.90 HTT (0.44) HTTEPHX2TAS1R3TAS1R1LMNA
SCHEMBL7742608 0.87 MMP2 (0.45) EPHX2PPARGTAS1R3TAS1R1LMNA
SCHEMBL7742606 0.87 MMP2 (0.45) EPHX2PPARGTAS1R3TAS1R1LMNA
SCHEMBL7742626 0.87 MMP2 (0.45) EPHX2PPARGTAS1R3TAS1R1LMNA
SCHEMBL6299559 0.86 HTT (0.49) HTTEPHX2PPARGTAS1R3TAS1R1
SCHEMBL7739744 0.86 HTT (0.49) HTTEPHX2PPARGTAS1R3TAS1R1

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 3 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
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