SCHEMBL7740367

SCHEMBL7740367

CCOCOC[C@H](C[C@H](COCc1ccccc1)C(=O)NO)NC(=O)c1ccc(Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
MMP9 P14780 5/20 0.40
MMP2 P08253 4/20 0.40
MMP12 P39900 4/20 0.40
CTSB P07858 2/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP14 P50281 1/20 0.38
PIN1 Q13526 1/20 0.38
SLC1A1 P43005 1/20 0.37
CTSL P07711 2/20 0.37
CNR1 P21554 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL7740365 1.00 KMT2A (0.42) KMT2AHSP90AA1MMP9MMP2MMP12
SCHEMBL7741226 0.92 SLC1A1 (0.46) KMT2AHSP90AA1CTSBLMNAALDH1A1
SCHEMBL7741228 0.92 SLC1A1 (0.46) KMT2AHSP90AA1CTSBLMNAALDH1A1
SCHEMBL7739854 0.92 HTT (0.42) MMP9MMP2MMP12MMP14PIN1
SCHEMBL7739847 0.92 HTT (0.42) MMP9MMP2MMP12MMP14PIN1
SCHEMBL7740721 0.90 KMT2A (0.43) KMT2AHSP90AA1MMP9MMP2MMP12
SCHEMBL7740718 0.90 KMT2A (0.43) KMT2AHSP90AA1MMP9MMP2MMP12
SCHEMBL7740187 0.88 NPC1 (0.46) KMT2AMMP9MMP2MMP12CTSB
SCHEMBL7740185 0.88 NPC1 (0.46) KMT2AMMP9MMP2MMP12CTSB
SCHEMBL7741366 0.87 HSP90AA1 (0.47) KMT2AHSP90AA1MMP9MMP2MMP12

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