SCHEMBL30851393

SCHEMBL30851393

CC1C2CCC1(C)C(O)C2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 3/20 0.34
LMNA P02545 2/20 0.33
GPBAR1 Q8TDU6 2/20 0.33
SERPINA6 P08185 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL4921846 0.71 GBA1 (0.31)
SCHEMBL12808166 0.69
SCHEMBL12808102 0.69
SCHEMBL12808167 0.69
SCHEMBL12808100 0.69
SCHEMBL15080751 0.66
SCHEMBL15080745 0.66
SCHEMBL15080746 0.63 CYP2D6 (0.33)
SCHEMBL13673744 0.61
SCHEMBL14996750 0.61 CYP3A4 (0.34) CYP3A4

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-117625618-A Sandalwood alcohol biosensor and application thereof 浙江大学 2024-03-01 CN disclosed