SCHEMBL9901198

SCHEMBL9901198

COCOc1cccc(CO)c1CCO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.37
DHODH Q02127 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
EGFR P00533 1/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
TSHR P16473 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
IGF1R P08069 1/20 0.32
MET P08581 1/20 0.32

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
SCHEMBL9901394 0.91 PTPN1 (0.38) PTPN1DHODHALOX5PTGS2EGFR
SCHEMBL6283334 0.88 PTPN1 (0.40) PTPN1ALOX5PTGS2EGFRCHEK1
SCHEMBL10434845 0.85 PTPN1 (0.38) PTPN1ALOX5PTGS2EGFRL3MBTL1
SCHEMBL27761600 0.80 TAAR1 (0.43) EGFRALDH1A1TAAR1
SCHEMBL2048597 0.79 EGFR (0.41) PTPN1EGFRL3MBTL1ALDH1A1TAAR1
SCHEMBL15533377 0.79 PTPN1 (0.34) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL12855014 0.79 PTPN1 (0.41) PTPN1ALOX5PTGS2EGFRLTB4R
SCHEMBL3903483 0.78 PDCD1 (0.44) PTPN1EGFRL3MBTL1CHEK1AURKA
SCHEMBL30566658 0.78 PTPN1 (0.46) PTPN1EGFRTSHRL3MBTL1CHEK1
SCHEMBL1135286 0.77 PTPN1 (0.39) PTPN1ALOX5PTGS2EGFRCHEK1

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
EP-2649066-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2013-10-16 EP disclosed
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed