SCHEMBL6462740

SCHEMBL6462740

CC(O)(CS)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 2/20 0.48
LMNA P02545 1/20 0.47
CYP2D6 P10635 1/20 0.47
TRPA1 O75762 1/20 0.46
FDPS P14324 1/20 0.44
IDO1 P14902 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP3A4 P08684 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KCNA5 P22460 1/20 0.38
MMP8 P22894 2/20 0.38

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
SCHEMBL809278 0.86 SLC6A2 (0.58) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL10850188 0.83 SLC6A2 (0.47) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL5069828 0.80 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL515470 0.80 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL5065523 0.80 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL5065515 0.80 SLC6A2 (0.52) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL11273926 0.79 TDP1 (0.41) TAAR1LMNAFDPSIDO1ALDH1A1
SCHEMBL11855768 0.79 SLC6A2 (0.47) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL28330980 0.78 SLC6A2 (0.50) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2
SCHEMBL27660447 0.78 TRPA1 (0.50) SLC6A2TAAR1CYP2C9CYP2C19CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042676-A1 Characterising polypeptides ELECTROPHORETICS LIMITED (GB) 2005-02-24 US disclosed
EP-1397505-A2 CHARACTERISING POLYPEPTIDES Xzillion GmbH & CO.KG (DE) 2004-03-17 EP disclosed
EP-1267170-A1 Method for characterising polypeptides Xzillion GmbH & CO.KG (DE) 2002-12-18 EP disclosed
WO-2002099124-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2002-12-12 WO disclosed
US-3932487-A HYPOTENSIVE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-13 US disclosed