SCHEMBL7740506

SCHEMBL7740506

CCOCOC[C@H](C[C@H](Cc1cccc(OC)c1)C(=O)NO)NC(=O)c1ccc(Br)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.39
POLB P06746 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PPARA Q07869 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL7740504 1.00 ANPEP (0.39) ANPEPPOLBCASP3SENP8SENP7
SCHEMBL7740119 0.89 MAPT (0.40) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL7740122 0.89 MAPT (0.40) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL7740942 0.87 ANPEP (0.43) ANPEPPOLBCASP3SENP8SENP7
SCHEMBL7740945 0.87 ANPEP (0.43) ANPEPPOLBCASP3SENP8SENP7
SCHEMBL7734789 0.86 HDAC1 (0.42) ANPEPKMT2AKDM4EMEN1ALDH1A1
SCHEMBL7734784 0.86 HDAC1 (0.42) ANPEPKMT2AKDM4EMEN1ALDH1A1
SCHEMBL7741049 0.84 MEN1 (0.46) ANPEPKMT2AKDM4EMEN1ALDH1A1
SCHEMBL7741044 0.84 MEN1 (0.46) ANPEPKMT2AKDM4EMEN1ALDH1A1
SCHEMBL7742522 0.83 HDAC1 (0.41) ANPEPKMT2AKDM4EMEN1ALDH1A1

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