SCHEMBL6524253

SCHEMBL6524253

C=C(C(=O)O)C(CC(=O)OCCOC)(C(=O)O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 3/20 0.32
MAPK14 Q16539 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARA Q07869 2/20 0.31
PPARD Q03181 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6518839 0.90 TSHR (0.41) TDP1ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL6524368 0.85 NPC1 (0.36) TDP1ALDH1A1NPC1LMNARAB9A
SCHEMBL6520815 0.83 TDP1 (0.34) TDP1ALDH1A1KDM4ETSHRL3MBTL1
SCHEMBL6514385 0.81 LMNA (0.45) TDP1ALDH1A1KDM4EHPGDTSHR
SCHEMBL6518873 0.81 LMNA (0.40) TDP1ALDH1A1L3MBTL1NPC1LMNA
SCHEMBL6520850 0.79 ALDH1A1 (0.38) TDP1ALDH1A1L3MBTL1MAPK14SMN1; SMN2
SCHEMBL6518805 0.78 NPC1 (0.35) TDP1ALDH1A1TSHRNPC1SMN1; SMN2
SCHEMBL6523105 0.76 ALDH1A1 (0.40) TDP1ALDH1A1L3MBTL1NPC1LMNA
SCHEMBL6515893 0.76 NPC1 (0.46) ALDH1A1L3MBTL1NPC1SMN1; SMN2LMNA
SCHEMBL6519436 0.76 CYP19A1 (0.36) ALDH1A1KDM4EHPGDNPC1SMN1; SMN2

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