SCHEMBL3270897

SCHEMBL3270897

C=C(C)C(=O)OC(CC)CCCc1c(C(=O)O)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC37A4 O43826 1/20 0.32
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL5532749 0.92 SLC37A4 (0.35) SLC37A4PRKCAPRKCDPOLBAPEX1
SCHEMBL20913248 0.90 ALDH1A1 (0.40) SLC37A4ALDH1A1
SCHEMBL3270892 0.83 SLC37A4 (0.32) SLC37A4
SCHEMBL2495058 0.78 PRKCA (0.34) PRKCAPRKCDPOLBAPEX1HTT
SCHEMBL5532744 0.78 SLC37A4 (0.35) SLC37A4MEN1KMT2AALDH1A1
SCHEMBL1436197 0.77 ALDH1A1 (0.39) SLC37A4PRKCAPRKCDPOLBAPEX1
SCHEMBL5523401 0.76 POLB (0.51) PRKCAPRKCDPOLBAPEX1HTT
SCHEMBL29991282 0.76 POLB (0.51) PRKCAPRKCDPOLBAPEX1HTT
SCHEMBL20913253 0.76 PPARA (0.39) SLC37A4ALDH1A1
Methacrylic Acid SCHEMBL28189910 0.75 GABRP (0.42) SLC37A4ALDH1A1

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
EP-0694298-B1 PREFORMED GLASS IONOMER FILLER WHICH CAN SUSTAINEDLY RELEASE FLUORIDE ION AND DENTAL COMPOSITION CONTAINING THE SAME SHOFU INC (JP) 2010-06-09 EP disclosed
US-5264513-A Dental adhesive KABUSHIKI KAISHA SHOFU (JP) 1993-11-23 US disclosed