SCHEMBL30148076

SCHEMBL30148076

CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)[C@H]2O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.36
DPP4 P27487 1/20 0.35
SHBG P04278 2/20 0.32
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
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
SCHEMBL29761172 1.00 CNR2 (0.36) CNR2DPP4SHBGMEN1ALDH1A1
SCHEMBL5407267 1.00 CNR2 (0.36) CNR2DPP4SHBGMEN1ALDH1A1
SCHEMBL1668635 1.00 CNR2 (0.36) CNR2DPP4SHBGMEN1ALDH1A1
SCHEMBL1668637 1.00 CNR2 (0.36) CNR2DPP4SHBGMEN1ALDH1A1
SCHEMBL13320075 0.79 CNR2 (0.35) CNR2DPP4SHBG
SCHEMBL24052391 0.77 CNR2 (0.35) CNR2DPP4SHBGMEN1ALDH1A1
SCHEMBL9360142 0.77 CNR2 (0.35) CNR2DPP4SHBG
SCHEMBL253323 0.77 CNR2 (0.35) CNR2DPP4SHBG
SCHEMBL7673902 0.77 CNR2 (0.35) CNR2DPP4SHBG
SCHEMBL6507028 0.77 CNR2 (0.35) CNR2DPP4SHBG

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-115448826-A Separation and identification of natural borneol metabolite 无锡济煜山禾药业股份有限公司 2022-12-09 CN disclosed