SCHEMBL7740748

SCHEMBL7740748

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 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
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
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
LMNA P02545 2/20 0.33
TRPA1 O75762 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ROCK2 O75116 1/20 0.32
PRKACA P17612 1/20 0.32
RPS6KB1 P23443 1/20 0.32
IRAK1 P51617 1/20 0.32
PRKX P51817 1/20 0.32
LIMK1 P53667 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
SCHEMBL7740746 1.00 HTT (0.44) HTTSMN1; SMN2MMP2MMP9MMP12
SCHEMBL7739562 0.91 HPGD (0.38) HTTMMP2MMP9MMP12TAS1R3
SCHEMBL7739567 0.91 HPGD (0.38) HTTMMP2MMP9MMP12TAS1R3
SCHEMBL6300434 0.90 HTT (0.43) HTTSMN1; SMN2MMP2MMP9MMP12
SCHEMBL6300430 0.90 HTT (0.43) HTTSMN1; SMN2MMP2MMP9MMP12
SCHEMBL7739814 0.90 HTT (0.46) HTTSMN1; SMN2TAS1R3TAS1R1TRPA1
SCHEMBL7739809 0.90 HTT (0.46) HTTSMN1; SMN2TAS1R3TAS1R1TRPA1
SCHEMBL6305441 0.89 MEN1 (0.39) SMN1; SMN2MMP2MMP9MMP12TAS1R3
SCHEMBL6305435 0.89 MEN1 (0.39) SMN1; SMN2MMP2MMP9MMP12TAS1R3
SCHEMBL7740891 0.88 HTT (0.48) HTTSMN1; SMN2MMP2MMP9MMP12

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