SCHEMBL7528170

SCHEMBL7528170

C=CCc1ccc(C(=O)O)c(C(=O)O)c1CC=C.C=Cc1ccccc1C=C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
KDM4E B2RXH2 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
HTT P42858 3/20 0.33
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
FOLH1 Q04609 2/20 0.33
POLB P06746 1/20 0.33
DCLRE1A Q6PJP8 1/20 0.33
DCLRE1B Q9H816 1/20 0.33
ME2 P23368 1/20 0.33
ME1 P48163 1/20 0.33
ME3 Q16798 1/20 0.33
LMNA P02545 1/20 0.33
ALOX12 P18054 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 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
Phthalic Acid SCHEMBL27575179 0.90 ALDH1A1 (0.42) RXRAKMT2AMAPTALDH1A1FOLH1
Phthalic Acid SCHEMBL28467885 0.90 ALDH1A1 (0.42) RXRAKMT2AMAPTALDH1A1FOLH1
Phthalic Acid SCHEMBL25209633 0.90 ALDH1A1 (0.42) RXRAKMT2AMAPTALDH1A1FOLH1
SCHEMBL18915 0.90 GAA (0.38) RXRAKDM4EKMT2AMAPTALDH1A1
Water SCHEMBL3696709 0.88 GAA (0.37) RXRAKDM4EKMT2AMAPTALDH1A1
Phthalic Acid SCHEMBL31412848 0.86 ALDH1A1 (0.39) RXRAKDM4EKMT2AMAPTALDH1A1
SCHEMBL8849242 0.83 KMT2A (0.42) KDM4EKMT2AMAPTMEN1HTT
Vinyl Ether SCHEMBL5052958 0.83 GAA (0.34) RXRAKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL2458711 0.82 TSHR (0.37) RXRAKDM4EKMT2AMAPTALDH1A1
SCHEMBL251906 0.82 TSHR (0.41) KDM4EKMT2AMAPTMEN1ALDH1A1

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-0622413-B1 Polyester films for magnetic recording media TORAY INDUSTRIES (JP) 2002-02-27 EP disclosed
EP-0622413-A1 POLYESTER COMPOSITION AND FILM MADE THEREFROM TORAY INDUSTRIES, INC. (JP) 1994-11-02 EP disclosed