SCHEMBL31298536

SCHEMBL31298536

CC(C)C(=O)O.CC1(C)CCc2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.47
HTR2C P28335 8/20 0.47
HTR2B P41595 8/20 0.47
SIGMAR1 Q99720 8/20 0.47
AKR1B1 P15121 1/20 0.41
DRD2 P14416 5/20 0.41
CYP2C19 P33261 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
GRM5 P41594 1/20 0.39
CES1 P23141 1/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
PGR P06401 1/20 0.37

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
SCHEMBL3054003 0.87 SIGMAR1 (0.57) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL29447988 0.87 SIGMAR1 (0.57) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL8000122 0.74 SIGMAR1 (0.54) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL5902887 0.73 SIGMAR1 (0.53) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL10341542 0.73 DGAT1 (0.60) HTR2AHTR2CHTR2BSIGMAR1DRD2
Acetic Acid SCHEMBL11154140 0.72 L3MBTL1 (0.47) MAPTTP53LMNACYP2D6KMT2A
SCHEMBL14358027 0.72 SIGMAR1 (0.56) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL5608198 0.71 SIGMAR1 (0.51) HTR2AHTR2CHTR2BSIGMAR1DRD2
SCHEMBL29594572 0.71 SIGMAR1 (0.47) HTR2AHTR2CHTR2BSIGMAR1DRD2
Fluorene SCHEMBL28524054 0.71 SRD5A2 (0.55) HTR2AHTR2CHTR2BDRD2CYP2C19

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-119156438-A Perfume composition for sleep improvement 国际香料和香精公司 2024-12-17 CN disclosed