SCHEMBL8634836

SCHEMBL8634836

COC(=O)C(O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.43
TSHR P16473 2/20 0.43
LTA4H P09960 1/20 0.42
SLC6A3 Q01959 4/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 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
SCHEMBL8571791 0.84 KMT2A (0.62) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL6874324 0.84 KMT2A (0.62) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL5789506 0.84 KMT2A (0.62) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL15317926 0.82 KMT2A (0.60) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL19419826 0.82 KMT2A (0.60) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL29524720 0.82 KMT2A (0.60) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL16931952 0.82 KMT2A (0.60) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL10001746 0.82 KMT2A (0.60) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL4731036 0.81 KMT2A (0.58) KMT2ALMNAMEN1PTGS1PTGS2
SCHEMBL487429 0.81 KMT2A (0.58) KMT2ALMNAMEN1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1061322-A The safe of benzoic acid derivative class weed killer herbicide MONSANTO CO (US) 1992-05-27 CN claimed
US-5760235-A DIPEPTIDES BASED ON PROLINE OR PIPECOLIC ACID AND ARGININE ALDEHYDE GYOGYSZERKUTATO INTEZET KFT. (HU) 1998-06-02 US disclosed
EP-0629212-B1 NEW ANTICOAGULANT PEPTIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS WELL AS A PROCESS FOR THE PREPARATION THEREOF GYOGYSZERKUTATO INTEZET (HU) 1997-10-08 EP 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
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