SCHEMBL7739809

SCHEMBL7739809

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
EPHX2 P34913 2/20 0.38
PPARG P37231 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
MME P08473 3/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
TRPA1 O75762 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
CA2 P00918 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
IRAK1 P51617 1/20 0.33
PRKX P51817 1/20 0.33
LIMK1 P53667 1/20 0.33
PRKG2 Q13237 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
SCHEMBL7739814 1.00 HTT (0.46) HTTEPHX2PPARGSMN1; SMN2MME
SCHEMBL7740748 0.90 HTT (0.44) HTTEPHX2SMN1; SMN2TAS1R3TAS1R1
SCHEMBL6300436 0.90 HTT (0.44) HTTEPHX2PPARGSMN1; SMN2MME
SCHEMBL7740746 0.90 HTT (0.44) HTTEPHX2SMN1; SMN2TAS1R3TAS1R1
SCHEMBL6905607 0.90 HTT (0.44) HTTEPHX2PPARGSMN1; SMN2MME
SCHEMBL7734893 0.90 HPGD (0.39) HTTPPARGSMN1; SMN2TAS1R3TAS1R1
SCHEMBL7734895 0.90 HPGD (0.39) HTTPPARGSMN1; SMN2TAS1R3TAS1R1
SCHEMBL7739744 0.86 HTT (0.49) HTTEPHX2PPARGSMN1; SMN2MME
SCHEMBL6299559 0.86 HTT (0.49) HTTEPHX2PPARGSMN1; SMN2MME
SCHEMBL6299563 0.86 HTT (0.49) HTTEPHX2PPARGSMN1; SMN2MME

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