SCHEMBL5542486

SCHEMBL5542486

CC(C(=O)O)=C(C)c1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.52
FEN1 P39748 1/20 0.52
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.44
MYC P01106 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL9364531 0.83 ERCC5 (0.52) ERCC5FEN1HPGDSMN1; SMN2MYC
SCHEMBL4564753 0.83 ERCC5 (0.52) ERCC5FEN1HPGDSMN1; SMN2MYC
SCHEMBL28376123 0.82 NPC1 (0.44) ERCC5FEN1HPGDSMN1; SMN2MYC
SCHEMBL9355146 0.82 ERCC5 (0.50) ERCC5FEN1HPGDSMN1; SMN2MYC
SCHEMBL9355900 0.82 ERCC5 (0.50) ERCC5FEN1HPGDSMN1; SMN2MYC
SCHEMBL29475720 0.80 ERCC5 (0.49) ERCC5FEN1HPGDSMN1; SMN2MYC
SCHEMBL11827710 0.79 HPGD (0.56) HPGDSMN1; SMN2ALDH1A1KDM4EHSD17B10
Toluic Acid SCHEMBL27623268 0.78 ALDH1A1 (0.62) ERCC5FEN1HPGDSMN1; SMN2MYC
SCHEMBL16329878 0.78 HPGD (0.45) ERCC5FEN1HPGDSMN1; SMN2MYC
SCHEMBL9510851 0.78 NPC1 (0.46) HPGDSMN1; SMN2ALDH1A1KMT2AHTT

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-1166745-B1 COSMETICS CONTAINING POLYSACCHARIDE-STEROL DERIVATIVES NOF CORP (JP) 2007-11-07 EP disclosed
EP-1166745-A1 COSMETICS CONTAINING POLYSACCHARIDE-STEROL DERIVATIVES NOF CORPORATION (JP) 2002-01-02 EP disclosed