SCHEMBL7741360

SCHEMBL7741360

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TAS1R3 Q7RTX0 3/20 0.37
TAS1R1 Q7RTX1 3/20 0.37
MMP2 P08253 5/20 0.36
MMP9 P14780 4/20 0.36
MMP12 P39900 4/20 0.36
CA12 O43570 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ATM Q13315 1/20 0.34
HTT P42858 2/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
HDAC3 O15379 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
SCHEMBL7741356 1.00 HPGD (0.39) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL7742511 0.93 ADAM17 (0.37) HPGDTAS1R3TAS1R1MMP2MMP9
SCHEMBL7742509 0.93 ADAM17 (0.37) HPGDTAS1R3TAS1R1MMP2MMP9
SCHEMBL7734841 0.92 HTT (0.44) RAB9ATAS1R3TAS1R1MMP2MMP9
SCHEMBL7734846 0.92 HTT (0.44) RAB9ATAS1R3TAS1R1MMP2MMP9
SCHEMBL7739766 0.91 HPGD (0.40) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL7739759 0.91 HPGD (0.40) HPGDNPC1RAB9ATAS1R3TAS1R1
SCHEMBL7735079 0.89 MMP2 (0.52) TAS1R3TAS1R1MMP2MMP9MMP12
SCHEMBL7735083 0.89 MMP2 (0.52) TAS1R3TAS1R1MMP2MMP9MMP12
SCHEMBL7740375 0.89 MAPT (0.38) NPC1RAB9ATAS1R3TAS1R1ALDH1A1

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 6 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
EP-0996652-A1 TWO-PACKAGE WATERBORNE URETHANE COATINGS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-03 EP disclosed
WO-1999003905-A1 GRAFT COPOLYMER EMULSIONS AND TWO-PACKAGE WATERBORNE URETHANE COATINGS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-28 WO disclosed