SCHEMBL3661310

SCHEMBL3661310

CCCCOC(=O)N(CC(=O)O)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 5/20 0.49
NFE2L2 Q16236 5/20 0.49
TRPM8 Q7Z2W7 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
MCL1 Q07820 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.42
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
PLA2G2A P14555 1/20 0.41
BLM P54132 1/20 0.41
BCL2A1 Q16548 2/20 0.40
RNF4 P78317 1/20 0.40

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
SCHEMBL3656769 0.87 TSHR (0.51) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL6717574 0.87 TSHR (0.49) TRPM8KDM4ENPC1ALDH1A1MAPT
SCHEMBL11866005 0.85 ALDH1A1 (0.43) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL7455182 0.82 LTB4R2 (0.45) KDM4EALDH1A1MAPTMAPK1LTB4R2
SCHEMBL7771243 0.82 TSHR (0.51) KDM4ENPC1ALDH1A1MAPK1RAB9A
SCHEMBL4686880 0.80 NPC1 (0.50) KEAP1NFE2L2KDM4ENPC1ALDH1A1
SCHEMBL5967202 0.80 KEAP1 (0.51) KEAP1NFE2L2TRPM8NPC1ALDH1A1
SCHEMBL7106756 0.77 KEAP1 (0.55) KEAP1NFE2L2SMN1; SMN2TSHRRNF4
SCHEMBL3660817 0.77 KEAP1 (0.49) KEAP1NFE2L2TRPM8TSHRBCL2A1
SCHEMBL9686344 0.77 CHRM1 (0.52) KEAP1NFE2L2TRPM8RNF4

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-2219600-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2010-08-25 EP disclosed
WO-2009067095-A1 TOPICAL COSMETIC SKIN LIGHTENING COMPOSITIONS AND METHODS OF USE THEREOF STIEFEL LABORATORIES, INC. (US) 2009-05-28 WO disclosed