SCHEMBL7734846

SCHEMBL7734846

C=CC[C@@H](C[C@@H](COCOCC)NC(=O)c1ccc(Cl)cc1)C(=O)NO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.36
TAS1R1 Q7RTX1 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MMP2 P08253 4/20 0.35
MMP9 P14780 4/20 0.35
MMP12 P39900 4/20 0.35
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL7734841 1.00 HTT (0.44) HTTTAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL7741360 0.92 HPGD (0.39) HTTTAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL7741356 0.92 HPGD (0.39) HTTTAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL7742511 0.91 ADAM17 (0.37) HTTTAS1R3TAS1R1SMN1; SMN2MMP2
SCHEMBL7742509 0.91 ADAM17 (0.37) HTTTAS1R3TAS1R1SMN1; SMN2MMP2
SCHEMBL7741410 0.90 HTT (0.46) HTTTAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL7741407 0.90 HTT (0.46) HTTTAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL7740891 0.88 HTT (0.48) HTTTAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL7740899 0.88 HTT (0.48) HTTTAS1R3TAS1R1LMNASMN1; SMN2
SCHEMBL6300358 0.87 HTT (0.47) HTTTAS1R3TAS1R1LMNASMN1; SMN2

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