SCHEMBL6514780

SCHEMBL6514780

Cc1ccc(C=C(C(=O)O)C(CC(=O)Oc2cccc3ccccc23)C(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HSD17B10 Q99714 3/20 0.40
PGR P06401 1/20 0.40
GAA P10253 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.38
AKR1C2 P52895 2/20 0.37
AKR1C3 P42330 1/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 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
SCHEMBL6520990 0.92 ALDH1A1 (0.43) ALDH1A1HSD17B10PGRGAAPTGS1
SCHEMBL6520854 0.83 ALDH1A1 (0.40) ALDH1A1GAAKDM4EHPGDAKR1C3
SCHEMBL6516689 0.81 KDM4E (0.43) ALDH1A1GAAL3MBTL1KDM4EHPGD
SCHEMBL6523112 0.81 ALDH1A1 (0.43) ALDH1A1GAAKDM4EHPGDAKR1C3
SCHEMBL6518877 0.81 LMNA (0.40) ALDH1A1HSD17B10GAAL3MBTL1KDM4E
SCHEMBL6524372 0.78 APP (0.36) ALDH1A1KDM4ETDP1AKR1C3KMT2A
SCHEMBL6514389 0.77 LMNA (0.45) ALDH1A1MAPK1L3MBTL1AKR1C3KMT2A
SCHEMBL6518108 0.76 HCAR2 (0.43) ALDH1A1L3MBTL1KDM4EHPGDKMT2A
SCHEMBL6519561 0.74 NPC1 (0.47) ALDH1A1GAAHPGDKMT2ARAB9A
SCHEMBL6520284 0.74 KDM4E (0.44) ALDH1A1GAAL3MBTL1KDM4EHPGD

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