SCHEMBL7734762

SCHEMBL7734762

CCOCOC[C@H](C[C@H](Cc1ccccc1)C(=O)NO)NC(=O)c1ccc(N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
PIN1 Q13526 2/20 0.43
CTSL P07711 1/20 0.42
MAPT P10636 1/20 0.41
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP12 P39900 4/20 0.40
MMP8 P22894 1/20 0.40
PPARG P37231 2/20 0.39
EPHX2 P34913 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CTRB1 P17538 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7734756 1.00 RAB9A (0.49) RAB9ANPC1PIN1CTSLMAPT
SCHEMBL7740348 0.93 PIN1 (0.49) RAB9APIN1CTSLMAPTMMP2
SCHEMBL7740343 0.93 PIN1 (0.49) RAB9APIN1CTSLMAPTMMP2
SCHEMBL7739307 0.92 PIN1 (0.43) RAB9ANPC1PIN1CTSLMAPT
SCHEMBL7739314 0.92 PIN1 (0.43) RAB9ANPC1PIN1CTSLMAPT
SCHEMBL7739536 0.92 PIN1 (0.44) RAB9ANPC1PIN1CTSLMAPT
SCHEMBL7739530 0.92 PIN1 (0.44) RAB9ANPC1PIN1CTSLMAPT
SCHEMBL7740721 0.91 KMT2A (0.43) RAB9APIN1CTSLMAPTMMP2
SCHEMBL7740902 0.91 PIN1 (0.43) RAB9APIN1CTSLMAPTMMP2
SCHEMBL7741209 0.91 PIN1 (0.43) RAB9APIN1CTSLMAPTMMP2

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