SCHEMBL28459656

SCHEMBL28459656

CCCCCCCCCCCCCCCCOCC(O)CNC(=O)CO

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTT P42858 1/20 0.53
TLR2 O60603 6/20 0.52
LPAR5 Q9H1C0 1/20 0.50
PLA2G2C Q5R387 6/20 0.49
SPHK1 Q9NYA1 1/20 0.42
CES2 O00748 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
SCHEMBL29115231 1.00 USP2 (0.58) USP2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL12449393 0.88 TLR2 (0.59) USP2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL10394490 0.84 USP2 (0.57) USP2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL12013651 0.81 CYP1A2 (0.50) USP2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL9736488 0.80 KDM4E (0.42) CYP1A2CYP3A4CYP2C19
SCHEMBL16083130 0.80 KDM4E (0.42) CYP1A2CYP3A4CYP2C19
SCHEMBL19305871 0.77 P2RY10 (0.52) USP2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL8595022 0.77 USP2 (0.65) USP2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL9127025 0.77 USP2 (0.65) USP2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL10788227 0.77 USP2 (0.65) USP2CYP1A2CYP3A4CYP2C19HTT

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-106456516-B Composition in form of nanoemulsion or microemulsion 莱雅公司 2020-09-29 CN disclosed