SCHEMBL7739744

SCHEMBL7739744

CCOCOC[C@H](C[C@H](COC)C(=O)O)NC(=O)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
POLB P06746 1/20 0.42
MME P08473 4/20 0.40
EPHX2 P34913 2/20 0.40
PPARG P37231 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
TAS1R3 Q7RTX0 5/20 0.38
TAS1R1 Q7RTX1 5/20 0.38
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL6299559 1.00 HTT (0.49) HTTPOLBMMEEPHX2PPARG
SCHEMBL6299563 1.00 HTT (0.49) HTTPOLBMMEEPHX2PPARG
SCHEMBL7734999 0.95 HTT (0.46) HTTPOLBMMEEPHX2PPARG
SCHEMBL7735005 0.95 HTT (0.46) HTTPOLBMMEEPHX2PPARG
SCHEMBL6298146 0.90 TAS1R3 (0.38) HTTMMESMN1; SMN2TAS1R3TAS1R1
SCHEMBL6300358 0.89 HTT (0.47) HTTPOLBEPHX2PPARGSMN1; SMN2
SCHEMBL6300364 0.89 HTT (0.47) HTTPOLBEPHX2PPARGSMN1; SMN2
SCHEMBL7742616 0.89 HTT (0.47) HTTPOLBEPHX2PPARGSMN1; SMN2
SCHEMBL7735001 0.89 HPGD (0.44) HTTPPARGSMN1; SMN2LMNATAS1R3
SCHEMBL6304350 0.89 HPGD (0.44) HTTPPARGSMN1; SMN2LMNATAS1R3

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