SCHEMBL4555644

SCHEMBL4555644

Nc1ccccc1C1OCBCO1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.31
GID4 Q8IVV7 1/20 0.31

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
SCHEMBL5485539 0.81 NSD2 (0.40) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL20216424 0.81 CYP3A4 (0.39) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL9562043 0.76 KMT2A (0.45) SMN1; SMN2KMT2AALDH1A1
SCHEMBL23375447 0.73 KDM1A (0.46) CYP3A4ALOX15SMN1; SMN2L3MBTL1MAPT
SCHEMBL3458407 0.70 CYP2C19 (0.56) CYP3A4MEN1MAPTKMT2A
SCHEMBL10442292 0.70 TSHR (0.46) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL16615866 0.65 CYP3A4 (0.36) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL29949338 0.65 NSD2 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL744815 0.64 ALOX15 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3727526 0.63 TSHR (0.36) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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-2018146-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS The Procter and Gamble Company (US) 2009-01-28 EP claimed
WO-2007102126-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 WO claimed