SCHEMBL7739388

SCHEMBL7739388

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.43
CTSL P07711 1/20 0.42
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
MMP8 P22894 2/20 0.41
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
MMP12 P39900 4/20 0.40
FCER2 P06734 1/20 0.40
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
MAPT P10636 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
BIRC2 Q13490 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
SCHEMBL7739383 1.00 PIN1 (0.43) PIN1CTSLGAARAB9AMMP8
SCHEMBL7740904 0.93 PIN1 (0.43) PIN1CTSLGAARAB9AMMP8
SCHEMBL7740902 0.93 PIN1 (0.43) PIN1CTSLGAARAB9AMMP8
SCHEMBL7740348 0.93 PIN1 (0.49) PIN1CTSLGAARAB9AMMP8
SCHEMBL7740343 0.93 PIN1 (0.49) PIN1CTSLGAARAB9AMMP8
SCHEMBL7739536 0.92 PIN1 (0.44) PIN1CTSLGAARAB9AMMP8
SCHEMBL7739530 0.92 PIN1 (0.44) PIN1CTSLGAARAB9AMMP8
SCHEMBL7740718 0.91 KMT2A (0.43) PIN1CTSLGAARAB9AMMP8
SCHEMBL7740333 0.91 CTSL (0.45) PIN1CTSLGAARAB9AMMP8
SCHEMBL7741209 0.91 PIN1 (0.43) PIN1CTSLGAARAB9AMMP8

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