SCHEMBL13875424

SCHEMBL13875424

C=CC(=O)O/C=C\OOCCOC(=O)C(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
HPGD P15428 6/20 0.34
ALDH1A1 P00352 5/20 0.34
MAPT P10636 3/20 0.34
FNTA P49354 7/20 0.33
FNTB P49356 7/20 0.33
NPC1 O15118 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL13875427 0.92 RAB9A (0.41) RAB9AHPGDALDH1A1MAPTFNTA
SCHEMBL13875425 0.86 RAB9A (0.37) RAB9AHPGDALDH1A1MAPTFNTA
SCHEMBL13875437 0.85 CES2 (0.41) RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL14845436 0.85 THRB (0.33) ALDH1A1TSHRHSD17B10
SCHEMBL13875386 0.84 THRB (0.43) HPGDALDH1A1MAPTKDM4EGAA
SCHEMBL13875441 0.84 KDM4E (0.32) ALDH1A1MAPTKDM4E
SCHEMBL13875422 0.83 RAB9A (0.42) RAB9AHPGDALDH1A1MAPTFNTA
SCHEMBL14845445 0.83 THRB (0.32)
SCHEMBL13875419 0.80 MAPT (0.39) ALDH1A1MAPTFNTAFNTBKDM4E
SCHEMBL14845460 0.79 THRB (0.30)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8414982-B2 Process for the production of strongly adherent coatings BASF SE (DE) 2013-04-09 US disclosed
US-20090092768-A1 Process for the Production of Strongly Adherent Coatings CIBA SPECIALTY CHEMICALS CORP. 2009-04-09 US disclosed