SCHEMBL6464989

SCHEMBL6464989

CC(O)Cc1ccccc1S

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MMP1 P03956 4/20 0.38
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 1/20 0.38
TRPA1 O75762 2/20 0.35
KDM4E B2RXH2 1/20 0.34
UGT2B7 P16662 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 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
SCHEMBL5988255 0.85 GABRA1 (0.46) GABRA1GABRB2LMNATRPA1KDM4E
SCHEMBL943149 0.81 GABRA1 (0.54) GABRA1GABRB2MMP1MDM4TP53
SCHEMBL9546806 0.79 GABRA1 (0.46) GABRA1GABRB2LMNATRPA1KDM4E
SCHEMBL1129263 0.77 CYP2D6 (0.41) GABRA1GABRB2LMNATRPA1
SCHEMBL26503628 0.77 TAAR1 (0.45) GABRA1GABRB2KDM4EALDH1A1
SCHEMBL28052525 0.77 GABRA1 (0.40) GABRA1GABRB2LMNATRPA1KDM4E
SCHEMBL15319485 0.77 TAAR1 (0.45) GABRA1GABRB2KDM4EALDH1A1
SCHEMBL13692275 0.77 GABRA1 (0.44) GABRA1GABRB2LMNATRPA1ALDH1A1
SCHEMBL3672930 0.77 SLC6A2 (0.52)
SCHEMBL3459705 0.77 GABRA1 (0.44) GABRA1GABRB2LMNATRPA1ALDH1A1

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 4 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