SCHEMBL28054209

SCHEMBL28054209

O=CC(=O)c1c2ccccc2cn1CCSCCO

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.31

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
SCHEMBL27951823 0.83 CNR2 (0.41)
SCHEMBL28826410 0.82 CNR2 (0.43)
SCHEMBL28054323 0.81 MAPT (0.33) MAPT
SCHEMBL27926249 0.80 PTPN1 (0.34) ALDH1A1
SCHEMBL27670405 0.77 CNR2 (0.34)
SCHEMBL27997552 0.77 CREBBP (0.38) ALDH1A1TSHRHPGD
SCHEMBL27799440 0.76 CNR2 (0.37)
SCHEMBL27937758 0.75 HSD17B10 (0.33) ALDH1A1HPGDMAPT
SCHEMBL28341398 0.75 CCNE2 (0.38) ALDH1A1TSHRMAPT
SCHEMBL28028232 0.73 CNR1 (0.46) ALDH1A1TSHRHPGDMAPT

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-105263899-A Phenoxyalkylamine compound UNIV OSAKA NAT UNIV CORP 2016-01-20 CN disclosed