SCHEMBL5994446

SCHEMBL5994446

CCCCc1c(O)cc(C)c(C)c1C

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
HPGD P15428 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
CYP19A1 P11511 1/20 0.47
TYR P14679 2/20 0.41
SKP2 Q13309 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
ALOX5 P09917 5/20 0.39
AR P10275 1/20 0.37
CYP3A4 P08684 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL28299697 0.94 CYP19A1 (0.54) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL30640325 0.92 CYP19A1 (0.53) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28453758 0.89 HPGD (0.45) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL3804566 0.82 HTT (0.53) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL27596786 0.81 HPGD (0.61) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL5678432 0.80 ALOX5 (0.56) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL573764 0.79 HTT (0.48) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL31395450 0.79 HTT (0.48) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL28571443 0.78 HTT (0.47) NPC1HPGDMAPK1HTTRAB9A
SCHEMBL31545390 0.78 NPC1 (0.52) NPC1HPGDMAPK1HTTRAB9A

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
CN-116115526-A Method for preparing skin care sun cream by using camel hump and vermiculite as raw materials 塔里木大学 2023-05-16 CN claimed
EP-1722859-A1 A BASE COMPOSITION FOR PREPARING MULTI-FUNCTIONAL FORMULATIONS FOR CARE AND PROTECTION OF THE SKIN AND HAIR Natura Cosméticos S.A. (BR) 2006-11-22 EP claimed
WO-2005060923-A1 A BASE COMPOSITION FOR PREPARING MULTI-FUNCTIONAL FORMULATIONS FOR CARE AND PROTECTION OF THE SKIN AND HAIR Natura Cosméticos S.A. (BR) 2005-07-07 WO claimed
CN-116115526-A Method for preparing skin care sun cream by using camel hump and vermiculite as raw materials 塔里木大学 2023-05-16 CN disclosed