SCHEMBL7739608

SCHEMBL7739608

CN(C(=O)c1ccc(Br)cc1)C(CO)CC(Cc1ccccc1)C(=O)NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.43
RAB9A P51151 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MME P08473 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACACB O00763 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38

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
SCHEMBL7739612 1.00 LTA4H (0.43) LTA4HRAB9AHDAC1HDAC6KMT2A
SCHEMBL6305546 0.87 MMP2 (0.46) KMT2AMEN1TMEM97SIGMAR1MMP2
SCHEMBL6305545 0.87 MMP2 (0.46) KMT2AMEN1TMEM97SIGMAR1MMP2
SCHEMBL7740614 0.86 CRHBP (0.50) LTA4HRAB9AKMT2AMEN1NPC1
SCHEMBL7740613 0.86 CRHBP (0.50) LTA4HRAB9AKMT2AMEN1NPC1
SCHEMBL7740143 0.86 HSD17B2 (0.46) HDAC1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL6299584 0.82 ACKR3 (0.43) LTA4HHDAC1HDAC6KMT2AMEN1
SCHEMBL6299580 0.82 ACKR3 (0.43) LTA4HHDAC1HDAC6KMT2AMEN1
SCHEMBL6305496 0.81 HDAC3 (0.35) HDAC1HDAC6HDAC8HDAC3HDAC7
SCHEMBL6305494 0.81 HDAC3 (0.35) HDAC1HDAC6HDAC8HDAC3HDAC7

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