SCHEMBL9814192

SCHEMBL9814192

CC1(CO)CCC2CC1C2(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.35
BCHE P06276 3/20 0.35
ACHE P22303 2/20 0.35
CDC25A P30304 2/20 0.33
CDC25B P30305 2/20 0.33
NR1H3 Q13133 1/20 0.31
HSD11B2 P80365 1/20 0.31
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CYP2C19 P33261 1/20 0.30
CYP3A4 P08684 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
SCHEMBL1128608 0.81
SCHEMBL1069856 0.79
SCHEMBL14002233 0.78 LMNA (0.35) HSD11B1
SCHEMBL9053737 0.78 LMNA (0.35) HSD11B1
SCHEMBL4863205 0.78 LMNA (0.35) HSD11B1
Alcohol SCHEMBL11674015 0.73 ALDH1A1 (0.33)
SCHEMBL18319874 0.72 RET (0.34)
SCHEMBL9862355 0.71 LMNA (0.37) TSHR
SCHEMBL9862354 0.71 LMNA (0.37) TSHR
SCHEMBL2826604 0.71 LMNA (0.37) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3126791-A None JP disclosed
JP-H03126791-A 3-FORMYLPINANE DERIVATIVE AND PERFUMERY COMPOSITION CONTAINING THE DERIVATIVE TSUMURA & CO 1991-05-29 JP disclosed