SCHEMBL27971985

SCHEMBL27971985

O=S(=O)(O)c1c(Cc2ccccc2)ccc2ccccc12.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 1/20 0.44
CYP2D6 P10635 1/20 0.43

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
SCHEMBL29364544 0.98 GPR55 (0.46) GPR55CYP2D6
SCHEMBL9658683 0.98 GPR55 (0.46) GPR55CYP2D6
Formaldehyde SCHEMBL22230269 0.95 GPR55 (0.43) GPR55CYP2D6
Formic Acid SCHEMBL27847795 0.93 NPC1 (0.43) GPR55
SCHEMBL30122848 0.89 CYP2D6 (0.45) CYP2D6
SCHEMBL198197 0.89 CYP2D6 (0.45) CYP2D6
SCHEMBL6336158 0.87 CYP2D6 (0.44) CYP2D6
Naphthalene SCHEMBL28184204 0.87 CYP2D6 (0.44) CYP2D6
SCHEMBL27599409 0.85 GPR55 (0.36) GPR55CYP2D6
SCHEMBL9142087 0.83 CTRC (0.47) CYP2D6

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-103876002-A Lecithin and pectin food additive LI XIANLAN 2014-06-25 CN disclosed