SCHEMBL7742780

SCHEMBL7742780

COCOC[C@H](C[C@H](Cc1cccnc1)C(=O)NO)NC(=O)c1ccc(C#Cc2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.42
MMP13 P45452 1/20 0.40
GPR132 Q9UNW8 1/20 0.37
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL7742779 1.00 ACACB (0.42) ACACBMMP13GPR132LMNAGLA
SCHEMBL7735314 0.88 PLG (0.39) ACACBGPR132LMNA
SCHEMBL7735312 0.88 PLG (0.39) ACACBGPR132LMNA
SCHEMBL7740451 0.88 MMP13 (0.43) MMP13GPR132LMNAGLAPOLB
SCHEMBL7740453 0.88 MMP13 (0.43) MMP13GPR132LMNAGLAPOLB
SCHEMBL7741125 0.85 MMP9 (0.48) MMP13GPR132POLBHPGDCTSL
SCHEMBL7741123 0.85 MMP9 (0.48) MMP13GPR132POLBHPGDCTSL
SCHEMBL7740988 0.84 KMT2A (0.39) GPR132LMNASMN1; SMN2KMT2A
SCHEMBL7740981 0.84 KMT2A (0.39) GPR132LMNASMN1; SMN2KMT2A
SCHEMBL7740979 0.84 KMT2A (0.39) GPR132LMNAPOLBHPGDSMN1; SMN2

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