SCHEMBL8613422

SCHEMBL8613422

O=C(OC(=O)c1ccccc1)c1ccccc1.[BaH2].[MgH2]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
F2 P00734 1/20 0.64
TSHR P16473 5/20 0.58
TDP1 Q9NUW8 5/20 0.52
TP53 P04637 1/20 0.52
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
CES1 P23141 3/20 0.50
MAPK1 P28482 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CES2 O00748 2/20 0.50
HIF1A Q16665 2/20 0.50
POLB P06746 2/20 0.50
CYP3A4 P08684 2/20 0.50
DAO P14920 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
HPGD P15428 1/20 0.50

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
Hydrogen Peroxide SCHEMBL27952375 0.95 LMNA (0.70) LMNAF2TSHRTDP1TP53
Benzene SCHEMBL27793442 0.95 LMNA (0.70) LMNAF2TSHRTDP1TP53
SCHEMBL52413 0.95 LMNA (0.70) LMNAF2TSHRTDP1TP53
SCHEMBL5314071 0.92 LMNA (0.67) LMNAF2TSHRTDP1TP53
SCHEMBL7050451 0.92 LMNA (0.67) LMNAF2TSHRTDP1TP53
SCHEMBL8717537 0.92 LMNA (0.67) LMNAF2TSHRTDP1TP53
Phosphine SCHEMBL9591710 0.92 LMNA (0.67) LMNAF2TSHRTDP1TP53
SCHEMBL1534569 0.92 LMNA (0.67) LMNAF2TSHRTDP1TP53
SCHEMBL10958000 0.92 LMNA (0.67) LMNAF2TSHRTDP1TP53
SCHEMBL431406 0.92 LMNA (0.67) LMNAF2TSHRTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835896-A1 POLYESTER AMIDE COPOLYMER AND PROCESS FOR THE PRODUCTION THEREOF, POLYESTER AMIDE MONOMER AND PROCESS FOR THE PRODUCTION THEREOF, AND POLYESTER AMIDE RESIN COMPOSITION TORAY INDUSTRIES, INC. (JP) 1998-04-15 EP disclosed