SCHEMBL2198638

SCHEMBL2198638

[O]c1sccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.52
PTGS2 P35354 1/20 0.44
PDPK1 O15530 1/20 0.40
PTPRC P08575 1/20 0.39
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 6/20 0.36
RXFP1 Q9HBX9 1/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
PRKCZ Q05513 1/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP2A6 P11509 2/20 0.36
BCL2L1 Q07817 1/20 0.36
CES1 P23141 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL3358969 0.73 BCAT2 (0.48) BCAT2PTGS2PDPK1PTPRCFABP4
SCHEMBL1681771 0.73 PTGS2 (0.65) BCAT2PTGS2PTPRC
SCHEMBL11632811 0.71 BCAT2 (0.47) BCAT2PTGS2PDPK1PTPRCFABP4
SCHEMBL8649337 0.71 CYP2A6 (0.60) BCAT2PTGS2PDPK1BACE1ALDH1A1
SCHEMBL2779268 0.71 BCAT2 (0.47) BCAT2PTGS2PDPK1PTPRCFABP4
SCHEMBL18746178 0.71 BCAT2 (0.47) BCAT2PTGS2PDPK1PTPRCFABP4
SCHEMBL920653 0.71 BCAT2 (0.47) BCAT2PTGS2PDPK1PTPRCFABP4
SCHEMBL2782853 0.71 PTGS2 (0.68) BCAT2PTGS2
SCHEMBL544047 0.71 BCAT2 (0.52) BCAT2PTGS2PDPK1BACE1ALDH1A1
Ammonia Solution, Strong SCHEMBL28994523 0.71 PTGS2 (0.62) BCAT2PTGS2PTPRC

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
US-7977670-B2 Organic transistor TOYO INK MFG. CO., LTD. (JP) 2011-07-12 US disclosed
US-20100032657-A1 ORGANIC TRANSISTOR TOYO INK MFG CO., LTD (JP) 2010-02-11 US disclosed