SCHEMBL6284486

SCHEMBL6284486

C=CC(Cc1ccccc1)OC(=O)c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MDM2 Q00987 1/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
SRR Q9GZT4 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
PTGS2 P35354 1/20 0.36
NR4A2 P43354 2/20 0.36
MEP1B Q16820 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 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
SCHEMBL6284483 0.96 MDM2 (0.41) KMT2AMDM2CYP1A2L3MBTL1SRR
SCHEMBL14775501 0.80 CYP1A2 (0.46) MDM2CYP1A2SRRTSHRALPI
SCHEMBL8147116 0.80 CYP1A2 (0.46) MDM2CYP1A2SRRSLC1A3SLC1A2
SCHEMBL4578730 0.79 ADCYAP1R1 (0.41)
SCHEMBL7520855 0.78 CAPN1 (0.49) KMT2AMEN1MDM2GAACYP1A2
SCHEMBL15578515 0.77 ACE (0.53) MDM2CYP1A2SRRTSHRALPI
SCHEMBL8376755 0.77 ALDH1A1 (0.44) MDM2CYP1A2SRRTSHRALPI
SCHEMBL959011 0.74 FFAR1 (0.38) KMT2ANR4A2TP53TSHRPKM
SCHEMBL9051426 0.74 TSHR (0.53) KMT2AMDM2CYP1A2SRRTP53
SCHEMBL21647766 0.74 TSHR (0.45) KMT2AMEN1TP53TSHRCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846900-B2 POLYVALENT CARBOXYLIC ACID ESTER, PROCESS FOR PRODUCING THE CARBOXYLIC ACID ESTER, PLASTIC LENS COMPOSITION USING THE CARBOXYLIC ESTER, PLASTIC LENS OBTAINED BY CURING THE COMPOSITION AND PROCESS FOR PRODUCING THE PLASTIC LENS SHOWA DENKO K.K. (JP) 2005-01-25 US disclosed
WO-2002079140-A1 NOVEL POLYVALENT CARBOXYLIC ACID ESTERS AND THEIR USE IN PLASTIC LENS COMPOSITIONS SHOWA DENKO K. K. (JP) 2002-10-10 WO disclosed