SCHEMBL6779226

SCHEMBL6779226

Cc1cccc(C(CC(=O)OC(C)(C)C)NCC(=O)Oc2ccccc2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
GRM5 P41594 1/20 0.34
MEN1 O00255 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CTSA P10619 2/20 0.34
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PTPRC P08575 2/20 0.32
PKM P14618 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7562572 0.79 PTPRC (0.35) KMT2AMAPTKDM4EALDH1A1PTPRC
SCHEMBL7832092 0.76 ITGA4 (0.41) KMT2AMAPTMEN1OPRM1OPRD1
SCHEMBL6782285 0.73 IRAK4 (0.39) KMT2AGRM5MEN1OPRM1OPRD1
SCHEMBL7117442 0.69 ELANE (0.44) KMT2AMAPTHTTKDM4EALDH1A1
SCHEMBL15244893 0.69 SCN9A (0.41) KMT2AMEN1HTTALDH1A1PKM
SCHEMBL5849169 0.68 EPHX2 (0.50) KMT2AMAPTMEN1HTTKDM4E
SCHEMBL7345217 0.68 TSHR (0.36) KMT2AMAPTMEN1HTTKDM4E
SCHEMBL16766069 0.68 XIAP (0.35) KMT2AMAPTKDM4EALDH1A1PTPRC
SCHEMBL6936747 0.68 MEN1 (0.41) KMT2AMEN1CTSAALDH1A1PTPRC
SCHEMBL16680856 0.67 ALDH1A1 (0.44) MAPTALDH1A1PTPRCL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed