SCHEMBL9618447

SCHEMBL9618447

CCOC(=O)CC(O)Cc1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MAPT P10636 6/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
POLB P06746 2/20 0.54
APAF1 O14727 1/20 0.54
RECQL P46063 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MPO P05164 1/20 0.51
TSHR P16473 1/20 0.51
BLM P54132 1/20 0.51

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
SCHEMBL8978269 0.85 SMN1; SMN2 (0.70) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL8366580 0.84 PKM (0.63) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL20425192 0.83 PKM (0.62) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL20425191 0.83 PKM (0.62) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6278978 0.83 SMN1; SMN2 (0.68) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9449637 0.81 PKM (0.66) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL30419025 0.81 PKM (1.00) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL361312 0.81 PKM (1.00) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9551407 0.80 MAPT (0.70) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL6284343 0.80 PKM (0.64) PKMSMN1; SMN2CYP1A2CYP3A4CYP2D6

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-4299987-A None JP disclosed
JP-H04299987-A PRODUCTION OF OPTICALLY ACTIVE INDOLE HYDROXY ACIDS KAWAKEN FINE CHEM CO LTD 1992-10-23 JP disclosed