SCHEMBL6524262

SCHEMBL6524262

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 6/20 0.39
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 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
SCHEMBL6518850 0.89 TSHR (0.43) TDP1ALDH1A1NPC1RAB9AKDM4E
SCHEMBL6524375 0.86 TDP1 (0.44) TDP1ALDH1A1GAANPC1RAB9A
SCHEMBL6520827 0.82 TP53 (0.40) TDP1KDM4EL3MBTL1
SCHEMBL6514397 0.81 LMNA (0.47) TDP1ALDH1A1GAANPC1RAB9A
SCHEMBL6518882 0.80 KMT2A (0.46) TDP1ALDH1A1GAANPC1RAB9A
SCHEMBL6520861 0.77 KMT2A (0.43) ALDH1A1GAANPC1RAB9AHPGD
SCHEMBL6518823 0.77 NPC1 (0.43) TDP1ALDH1A1GAANPC1RAB9A
SCHEMBL6515905 0.77 NPC1 (0.56) TDP1ALDH1A1GAANPC1RAB9A
SCHEMBL6523117 0.75 ELANE (0.44) ALDH1A1GAANPC1RAB9AHPGD
SCHEMBL6519448 0.74 SMN1; SMN2 (0.39) ALDH1A1NPC1RAB9AKDM4EHPGD

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