SCHEMBL28516375

SCHEMBL28516375

NCC1CCC(C(=O)c2ccc(CCCCCCCC(=O)O)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HTR2A P28223 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KCNH2 Q12809 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
LMNA P02545 1/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR2 O95136 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
SCHEMBL11134042 1.00 F2 (0.54) F2MAPTRXFP1HSD17B10KDM4E
SCHEMBL28516925 1.00 F2 (0.54) F2MAPTRXFP1HSD17B10KDM4E
SCHEMBL11133818 0.99 F2 (0.55) F2MAPTRXFP1HSD17B10KDM4E
SCHEMBL11131186 0.95 F2 (0.56) F2MAPTRXFP1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL11133261 0.94 F2 (0.55) F2MAPTRXFP1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL11133260 0.94 F2 (0.55) F2MAPTRXFP1HSD17B10KDM4E
SCHEMBL11137734 0.90 F2 (0.47) F2KDM4ECYP1A2CYP3A4CYP2D6
Rotraxate SCHEMBL1652733 0.89 F2 (0.66) F2HTR2AITGB3ITGA2BPLG
Rotraxate SCHEMBL7610725 0.89 F2 (0.66) F2HTR2AITGB3ITGA2BPLG
Rotraxate SCHEMBL867317 0.89 F2 (0.66) F2HTR2AITGB3ITGA2BPLG

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
CN-112135599-B Skin whitening agent 宝丽化成工业有限公司 2023-03-31 CN disclosed
CN-112135599-A Whitening agent 宝丽化成工业有限公司 2020-12-25 CN disclosed