SCHEMBL5986923

SCHEMBL5986923

CC(C)=CCCC1=CCC(C=O)(C2(C=O)CC=C(CCCC(C)(C)O)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.33
FNTA P49354 1/20 0.33
PGGT1B P53609 1/20 0.33
ALOX15 P16050 2/20 0.33
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CHRNA7 P36544 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL180548 0.84
SCHEMBL28847930 0.77
Lyral SCHEMBL5986927 0.75 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL6803312 0.74
SCHEMBL19296597 0.73 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL230169 0.73 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL20610531 0.73 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL19994535 0.71 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL11595379 0.71 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL11577411 0.71 MEN1 (0.37) MEN1KMT2AALDH1A1MAPTPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715838-A1 STABILIZATION WITH SUBSTITUTED UREAS AGAINST COLOR DEGRADATION OF PERSONAL CARE PRODUCTS Unilever Plc (GB) 2006-11-02 EP disclosed
WO-2005079740-A1 STABILIZATION WITH SUBSTITUTED UREAS AGAINST COLOR DEGRADATION OF PERSONAL CARE PRODUCTS UNILEVER PLC (GB) 2005-09-01 WO disclosed
WO-2004052316-A2 NOVEL SKIN LIGHTENING AGENTS, COMPOSITIONS AND METHODS UNILEVER PLC (GB) 2004-06-24 WO disclosed
WO-2003080011-A1 STABILIZATION OF TERPENOIDS IN COSMETIC COMPOSITIONS UNILEVER PLC (GB) 2003-10-02 WO disclosed