SCHEMBL6522183

SCHEMBL6522183

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
FFAR1 O14842 1/20 0.37
LPAR1 Q92633 3/20 0.36
KLK7 P49862 2/20 0.36
OPRM1 P35372 3/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.35
RORC P51449 2/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34

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
SCHEMBL6513815 0.93 HCAR2 (0.44) HCAR2KDM4EMAPTFFAR1LPAR1
SCHEMBL6521144 0.85 ALDH1A1 (0.40) HCAR2KDM4EMAPTFFAR1LPAR1
SCHEMBL7309367 0.82 HCAR2 (0.53) HCAR2KDM4EMAPTFFAR1LPAR1
SCHEMBL6520881 0.79 ERCC1 (0.38) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL3883004 0.79 HCAR2 (0.56) HCAR2KDM4EMAPTFFAR1LPAR1
SCHEMBL538486 0.77 HCAR2 (0.54) HCAR2KDM4EMAPTFFAR1LPAR1
SCHEMBL9231000 0.77 HCAR2 (0.54) HCAR2KDM4EMAPTFFAR1LPAR1
SCHEMBL6518116 0.77 MEN1 (0.39) HCAR2MEN1KMT2AALDH1A1LMNA
SCHEMBL6514710 0.75 HCAR2 (0.43) HCAR2FFAR1LPAR1KLK7OPRM1
SCHEMBL3320372 0.75 HCAR2 (0.51) HCAR2KDM4EMAPTFFAR1LPAR1

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