SCHEMBL6517563

SCHEMBL6517563

CCC(C(=O)O)=C(CC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.59
MAPT P10636 3/20 0.59
HPGD P15428 3/20 0.59
MEN1 O00255 2/20 0.59
CYP3A4 P08684 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
CES1 P23141 2/20 0.59
MAPK1 P28482 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALOX15 P16050 1/20 0.59
ERCC5 P28715 2/20 0.57
FEN1 P39748 2/20 0.57
PTPN1 P18031 2/20 0.57
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
L3MBTL1 Q9Y468 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HIF1A Q16665 2/20 0.48
PLOD2 O00469 2/20 0.48

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
SCHEMBL6517554 1.00 KMT2A (0.59) KMT2AMAPTHPGDMEN1CYP3A4
SCHEMBL6523089 0.85 NPC1 (0.59) KMT2AMAPTHPGDMEN1SMN1; SMN2
SCHEMBL6523093 0.85 NPC1 (0.59) KMT2AMAPTHPGDMEN1SMN1; SMN2
Benzoic Acid SCHEMBL11306418 0.82 TSHR (0.61) KMT2AMAPTHPGDMEN1CYP3A4
SCHEMBL6516706 0.81 KMT2A (0.59) KMT2AMAPTHPGDMEN1CYP3A4
SCHEMBL6516698 0.81 KMT2A (0.59) KMT2AMAPTHPGDMEN1CYP3A4
SCHEMBL6517482 0.79 MEN1 (0.57) KMT2AMAPTHPGDMEN1CYP3A4
SCHEMBL6517493 0.79 MEN1 (0.57) KMT2AMAPTHPGDMEN1CYP3A4
SCHEMBL6517413 0.79 MEN1 (0.52) KMT2AMAPTHPGDMEN1CYP3A4
SCHEMBL6517307 0.78 KMT2A (0.61) KMT2AMAPTHPGDMEN1CYP3A4

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
US-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed