SCHEMBL7434128

SCHEMBL7434128

O=[C]C(O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.57
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
SLC6A2 P23975 6/20 0.45
SLC6A4 P31645 6/20 0.45
SLC6A3 Q01959 6/20 0.45
KCNH2 Q12809 3/20 0.45
CYP2D6 P10635 2/20 0.45
AOC3 Q16853 1/20 0.45
CYP1A2 P05177 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.44
MMP9 P14780 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL9547920 0.83 UGT2B7 (0.61) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL30760973 0.80 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL3041531 0.80 TSHR (0.57) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL27536762 0.80 TSHR (0.57) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL11357180 0.80 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL434216 0.76 UGT2B7 (0.68) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL30033673 0.76 UGT2B7 (0.68) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL600527 0.76 UGT2B7 (0.68) UGT2B7MEN1KMT2AATMSLC6A2
SCHEMBL1663204 0.76 UGT2B7 (0.57) UGT2B7MEN1KMT2AATMCYP2D6
SCHEMBL9005796 0.76 UGT2B7 (0.47) UGT2B7MEN1KMT2AATMSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542525-B1 Antithrombotic agents LILLY CO ELI (US) 1998-07-08 EP disclosed
US-5760235-A DIPEPTIDES BASED ON PROLINE OR PIPECOLIC ACID AND ARGININE ALDEHYDE GYOGYSZERKUTATO INTEZET KFT. (HU) 1998-06-02 US disclosed
EP-0837071-A1 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1998-04-22 EP disclosed
EP-0685489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-12-06 EP disclosed
EP-0684258-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-11-29 EP disclosed
US-5430023-A Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1995-07-04 US disclosed
EP-0629212-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF. GYOGYSZERKUTATO INTEZET (HU) 1994-12-21 EP disclosed
US-5252566-A Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-10-12 US disclosed
WO-1993018060-A1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF Gyógyszerkutató Intézet Kft. (HU) 1993-09-16 WO disclosed
EP-0542525-A2 Antithrombotic agents ELI LILLY AND COMPANY (US) 1993-05-19 EP disclosed
EP-0479489-A2 Tripeptide antithrombotic agents ELI LILLY AND COMPANY (US) 1992-04-08 EP disclosed