SCHEMBL6652480

SCHEMBL6652480

CN(Cc1ccc(C(=O)OC(C)(C)C)cc1N)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
SLC7A5 Q01650 1/20 0.41
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
HPGD P15428 3/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
MCHR1 Q99705 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
SCHEMBL6655139 0.91 ALOX15 (0.41) ALOX15SLC7A5CA12CA1CA2
SCHEMBL27352445 0.90 ALDH1A1 (0.40) ALOX15SLC7A5HPGDHTR2CSLC6A4
SCHEMBL7450087 0.81 PDK1 (0.42) HPGDKDM4EMAPTALDH1A1NPC1
SCHEMBL2061803 0.80 SLC6A4 (0.43) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL6377572 0.80 SLC7A5 (0.42) ALOX15SLC7A5CA12CA1CA2
SCHEMBL6654994 0.80 SLC7A5 (0.39) ALOX15SLC7A5CA12CA1CA2
SCHEMBL6655650 0.79 KMT2A (0.43) HPGDMAPTALDH1A1ATMMEN1
SCHEMBL6948372 0.78 ALOX15 (0.42) ALOX15SLC7A5CA12CA1CA2
SCHEMBL6655287 0.78 SLC7A5 (0.45) ALOX15SLC7A5HPGDKMT2ASMN1; SMN2
SCHEMBL1831753 0.78 ALDH1A1 (0.41) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
US-6403578-B1 ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-06-11 US disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
EP-0674623-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-10-04 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed
WO-1994014776-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-07-07 WO disclosed