SCHEMBL9901394

SCHEMBL9901394

COCOc1cccc(CO)c1CCCO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGS2 P35354 1/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
CYP4F2 P78329 3/20 0.33
CYP4A11 Q02928 3/20 0.33
PDCD1 Q15116 2/20 0.33
CD274 Q9NZQ7 2/20 0.33
DHODH Q02127 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
EGFR P00533 1/20 0.32
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL9901198 0.91 PTPN1 (0.37) PTPN1KDM4EALOX5PTGS2LTB4R
SCHEMBL6283334 0.85 PTPN1 (0.40) PTPN1ALOX5PTGS2PDCD1CD274
SCHEMBL10434845 0.83 PTPN1 (0.38) PTPN1KDM4EALOX5PTGS2PDCD1
SCHEMBL9900695 0.80 BACE1 (0.34) PTPN1TLR7
SCHEMBL3903483 0.79 PDCD1 (0.44) PTPN1CYP4F2CYP4A11PDCD1CD274
SCHEMBL8973880 0.78 ALOX5 (0.37) PTPN1KDM4EALOX5PTGS2DHODH
SCHEMBL2048597 0.77 EGFR (0.41) PTPN1KDM4EEGFR
SCHEMBL15533377 0.77 PTPN1 (0.34) PTPN1EGFR
SCHEMBL12855014 0.76 PTPN1 (0.41) PTPN1KDM4EALOX5PTGS2LTB4R
SCHEMBL30566658 0.76 PTPN1 (0.46) PTPN1KDM4EPDCD1CD274EGFR

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