SCHEMBL28579043

SCHEMBL28579043

CC1(C)CCCOB(c2cccc(C3(O)CC3)c2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL29933385 0.82 LIPG (0.46) LPLLIPGOPRM1OPRK1OPRL1
SCHEMBL28843389 0.82 LIPG (0.46) LPLLIPGOPRM1OPRK1OPRL1
SCHEMBL22290862 0.78 LIPG (0.42) LPLLIPG
SCHEMBL30765291 0.72 LIPG (0.43) LPLLIPG
SCHEMBL4151358 0.71 ALDH1A1 (0.35) OPRM1OPRK1
SCHEMBL15518178 0.68 LIPG (0.40) LPLLIPG
SCHEMBL29604602 0.68 GRIN1 (0.41) LPLLIPG
SCHEMBL21612862 0.68
SCHEMBL27129530 0.68 GRIN1 (0.41) LPLLIPG
SCHEMBL26969389 0.68 GRIN1 (0.41) LPLLIPG

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-112812113-A Immunomodulatory compounds, compositions and uses thereof 杭州和正医药有限公司 2021-05-18 CN disclosed