SCHEMBL28825397

SCHEMBL28825397

CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCC)(NC)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.44
ARG2 P78540 1/20 0.44
CES2 O00748 1/20 0.42
GPR84 Q9NQS5 7/20 0.41
PPARG P37231 6/20 0.41
PPARD Q03181 6/20 0.41
PPARA Q07869 6/20 0.41
HDAC11 Q96DB2 5/20 0.41
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR2 O60603 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
FABP4 P15090 2/20 0.41
PTPN1 P18031 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
MEN1 O00255 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE4A P27815 1/20 0.41

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
SCHEMBL28817969 1.00 ARG1 (0.44) ARG1ARG2CES2GPR84PPARG
SCHEMBL12506356 0.88 ARG1 (0.41) ARG1ARG2GPR84PPARGPPARD
SCHEMBL10792942 0.80 CES2 (0.40) CES2
SCHEMBL3716125 0.79 ALOX15 (0.42) ARG1CES2GPR84PPARGPPARD
SCHEMBL7741623 0.78 CES2 (0.41) CES2GPR84PPARGPPARDPPARA
SCHEMBL30304068 0.77 EPHX1 (0.42) CES2
SCHEMBL6262725 0.77 KMT2A (0.41) CES2GPR84PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL15799582 0.76 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL15799742 0.76 CES2 (0.40) CES2GPR84PPARGPPARDPPARA
SCHEMBL7087196 0.73 CES2 (0.48) CES2GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105163706-A Microcapsules comprising sunscreen agents TAGRA BIOTECHNOLOGIES LTD 2015-12-16 CN disclosed