SCHEMBL30445110

SCHEMBL30445110

Cc1ccccc1[C@@H]1OC(c2ccccc2)O[C@H]1CO

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.44
SLC5A2 P31639 9/20 0.38
HDAC4 P56524 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
MAPT P10636 1/20 0.36
HTR2C P28335 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
PTGS2 P35354 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL30443706 1.00 CYP2C19 (0.44) CYP2C19SLC5A2HDAC4CYP3A4CYP2D6
SCHEMBL17093405 1.00 CYP2C19 (0.44) CYP2C19SLC5A2HDAC4CYP3A4CYP2D6
SCHEMBL18802233 1.00 CYP2C19 (0.44) CYP2C19SLC5A2HDAC4CYP3A4CYP2D6
SCHEMBL15550468 1.00 CYP2C19 (0.44) CYP2C19SLC5A2HDAC4CYP3A4CYP2D6
SCHEMBL4087274 0.84 HTR2C (0.42) CYP2C19SLC5A2HTR2CHTR2AHTR2B
SCHEMBL16795853 0.81 HTR2C (0.38) CYP2C19SLC5A2CYP3A4CYP2D6MAPT
SCHEMBL30443722 0.81 HTR2C (0.38) CYP2C19SLC5A2CYP3A4CYP2D6MAPT
SCHEMBL30443948 0.81 HTR2C (0.38) CYP2C19SLC5A2CYP3A4CYP2D6MAPT
SCHEMBL15538978 0.81 HTR2C (0.38) CYP2C19SLC5A2CYP3A4CYP2D6MAPT
SCHEMBL18802024 0.81 HTR2C (0.38) CYP2C19SLC5A2CYP3A4CYP2D6MAPT

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-116234798-A Sulfamate derivative compounds for the treatment or alleviation of psychotic disorders 生物药品解决方案有限公司 2023-06-06 CN disclosed