SCHEMBL7067353

SCHEMBL7067353

COCCCCCCNCCCCCCOC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 7/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
MAPK1 P28482 1/20 0.41
GAA P10253 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
CHRM2 P08172 1/20 0.39
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL25075398 0.97 KDM4E (0.46) KDM4EALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL11548639 0.90 EPHX1 (0.44) KDM4EALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL19075314 0.90 ALDH1A1 (0.48) KDM4EALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL5932374 0.89 KDM4E (0.42) KDM4EALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL21367094 0.88 S1PR2 (0.39) KDM4EALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL4159314 0.88 MAPK1 (0.48) KDM4EALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL23279237 0.87 CYP2C19 (0.55) KDM4EALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL24864839 0.87 ALDH1A1 (0.65) KDM4EALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL16509666 0.85 TSHR (0.62) KDM4EALDH1A1TSHRCYP1A2CYP2C19
SCHEMBL11589699 0.85 TSHR (0.62) KDM4EALDH1A1TSHRCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805674-B1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORP (JP) 2003-03-12 EP disclosed
US-6348200-B1 OXYALKYLAMIDE OR AMINE DERIVATIVES;AT LEAST ONE OF POLYHYDRIC ALCOHOLS, OR VEGETABLE EXTRACTS, OR ORGANIC ACIDS; IMPROVES WATER-RETAINING ABILITY OF HORNY LAYER, CURES ROUGHNESS AND PREVENTS WRINKLES KAO CORPORATION (JP) 2002-02-19 US disclosed
EP-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 EP disclosed
US-6187955-B1 A MOISTURIZER FOR SOFTENING SKINS; USEFUL AS COMPONENTS OF COSMETIC FORMULATIONS KAO CORPORATION (JP) 2001-02-13 US disclosed
US-5723133-A GUANIDINE WITH ORGANIC ACID FOR SKIN SOFTENING KAO CORPORATION (JP) 1998-03-03 US disclosed
EP-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 EP disclosed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 WO disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed