SCHEMBL29026696

SCHEMBL29026696

CCC(=O)C(C)c1ccc(C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.46
USP5 P45974 1/20 0.44
CYP2C9 P11712 4/20 0.42
CYP2D6 P10635 1/20 0.42
HIF1A Q16665 1/20 0.42
TYR P14679 2/20 0.42
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
LMNA P02545 3/20 0.41
AKR1C3 P42330 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX5 P09917 1/20 0.41
RARB P10826 1/20 0.41
ADRB3 P13945 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
NR1I3 Q14994 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
SCHEMBL2680908 0.85 ACHE (0.47) FAAHCYP2C9PTGS1PTGS2LMNA
SCHEMBL13389325 0.83 ALDH1A1 (0.50) FAAHCYP2D6PTGS2LMNAALDH1A1
SCHEMBL3410010 0.83 ALDH1A1 (0.50) FAAHCYP2D6PTGS2LMNAALDH1A1
SCHEMBL13179861 0.80 FAAH (0.72) FAAHCYP2C9PTGS1PTGS2LMNA
SCHEMBL5803513 0.80 NR1H4 (0.49) FAAHLMNAAKR1C3TSHRAKR1C2
SCHEMBL4487227 0.80 FAAH (0.72) FAAHCYP2C9PTGS1PTGS2LMNA
SCHEMBL4558925 0.80 PTGS2 (0.67) PTGS2SMN1; SMN2HPGDALDH1A1NPC1
SCHEMBL5608844 0.80 MEN1 (0.49) CYP2C9PTGS1PTGS2LMNAAKR1C3
SCHEMBL4481658 0.80 FAAH (0.72) FAAHCYP2C9PTGS1PTGS2LMNA
SCHEMBL20665306 0.79 MAPT (0.44) FAAHADRB3KDM4EALDH1A1RAB9A

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-116376135-A Rotational molding composite material with green grass smell for calves islands and preparation method thereof 浙江瑞堂塑料科技股份有限公司 2023-07-04 CN disclosed