SCHEMBL7411743

SCHEMBL7411743

Cc1cc(C[C@H](N)C(=O)O)ccc1O.O=PO

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 8/20 0.65
USP2 O75604 3/20 0.65
PTGS1 P23219 2/20 0.65
KDM4E B2RXH2 2/20 0.65
ALOX15 P16050 2/20 0.65
RECQL P46063 2/20 0.65
HIF1A Q16665 2/20 0.65
HSD17B10 Q99714 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
EGFR P00533 1/20 0.65
LCK P06239 1/20 0.65
FYN P06241 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
HTR2A P28223 1/20 0.65
PTGS2 P35354 1/20 0.65
THRB P10828 4/20 0.56
THRA P10827 3/20 0.56
PKM P14618 3/20 0.47
ALPI P09923 1/20 0.47
XIAP P98170 1/20 0.47

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
SCHEMBL6154805 0.94 SLC7A5 (0.73) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL31263758 0.94 SLC7A5 (0.73) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL274387 0.94 SLC7A5 (0.73) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL274388 0.94 SLC7A5 (0.73) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL12799629 0.83 ALOX15 (0.56) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL9952434 0.81 SLC7A5 (0.73) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL9952430 0.81 SLC7A5 (0.73) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL12656312 0.81 SLC1A1 (0.59) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL31734663 0.81 SLC7A5 (0.62) SLC7A5USP2PTGS1KDM4EALOX15
SCHEMBL2778612 0.81 SLC7A5 (0.62) SLC7A5USP2PTGS1KDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691311-A Methods for coating invasive devices with inhibitors of thrombin BIOGEN, INC. (US) 1997-11-25 US disclosed
US-5656600-A MODIFIED POLYPEPTIDES CORVAS INTERNATIONAL, INC. (US) 1997-08-12 US disclosed
EP-0489070-B1 NOVEL INHIBITORS OF THROMBIN BIOGEN INC (US) 1996-04-24 EP disclosed
US-5433940-A Synthetic molecules mimic action of hirudin by binding to both the low affinity anion-binding exosite and the catalytic site of thrombin BIOGEN, INC. (US) 1995-07-18 US disclosed
US-5196404-A Hirudin mimic, polypeptide, hirulog; bivalirudin FDA Orange book listed patent BIOGEN, INC. (US) 1993-03-23 US disclosed
EP-0489070-A1 NOVEL INHIBITORS OF THROMBIN. BIOGEN INC (US) 1992-06-10 EP disclosed
WO-1991002750-A1 NOVEL INHIBITORS OF THROMBIN BIOGEN, INC. (US) 1991-03-07 WO disclosed