SCHEMBL9975472

SCHEMBL9975472

CCCCOc1ccc(CCCO)cc1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HTT P42858 3/20 0.49
MAPK1 P28482 3/20 0.49
APAF1 O14727 2/20 0.49
THRB P10828 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
RAD52 P43351 2/20 0.48
NPC1 O15118 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GLA P06280 1/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
USP2 O75604 1/20 0.43

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
SCHEMBL19194091 0.86 BIRC5 (0.56) MAPTHTTMAPK1APAF1THRB
SCHEMBL11714303 0.82 HTT (0.49) MAPTHTTMAPK1APAF1THRB
SCHEMBL4019008 0.82 HTT (0.62) MAPTHTTMAPK1APAF1THRB
SCHEMBL9359369 0.81 HTT (0.61) MAPTHTTMAPK1APAF1THRB
SCHEMBL8757800 0.81 HTT (0.61) MAPTHTTMAPK1APAF1THRB
SCHEMBL8681872 0.81 HTT (0.54) MAPTHTTMAPK1APAF1THRB
SCHEMBL11262533 0.80 HTT (0.67) MAPTHTTMAPK1APAF1THRB
SCHEMBL31540570 0.79 HTT (0.53) MAPTHTTMAPK1APAF1THRB
SCHEMBL13808442 0.78 MEN1 (0.46) MAPTHTTMAPK1APAF1THRB
SCHEMBL10899000 0.78 HTT (0.57) MAPTHTTMAPK1APAF1THRB

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
WO-2012080152-A1 USE OF SUBSTITUTED METHOXYHYDROXYPHENYLALKYL DERIVATIVES AS PRESERVATIVE AND PRESERVING METHOD L'OREAL (FR) 2012-06-21 WO disclosed