SCHEMBL9900086

SCHEMBL9900086

COCOc1cccc(O)c1CCC(C)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BACE1 P56817 2/20 0.36
PTPN1 P18031 1/20 0.35
CNR1 P21554 5/20 0.33
CNR2 P34972 5/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
JAK2 O60674 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
SCHEMBL16717622 0.84 PTPN1 (0.34) LMNAKDM4EALDH1A1PTPN1JAK2
SCHEMBL16717617 0.84 PTPN1 (0.34) LMNAKDM4EALDH1A1PTPN1JAK2
SCHEMBL16717445 0.79 LMNA (0.36) LMNAKDM4EALDH1A1PTPN1CNR1
SCHEMBL2218616 0.78 TP53 (0.42) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL16729397 0.78 LMNA (0.43) LMNAMAPTKDM4EALDH1A1MAPK1
SCHEMBL16717058 0.78 LMNA (0.43) LMNAMAPTKDM4EALDH1A1MAPK1
SCHEMBL9900871 0.77 LMNA (0.36) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL23041032 0.73 LMNA (0.59) TYRTP53LMNAMAPTKDM4E
SCHEMBL16098438 0.73 BACE1 (0.42) TP53LMNAMAPTKDM4EALDH1A1
SCHEMBL1177846 0.71 GAA (0.59) TP53LMNAMAPTKDM4EALDH1A1

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