SCHEMBL8538665

SCHEMBL8538665

O=C(S)CC(=O)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
FAAH O00519 2/20 0.47
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
PPARG P37231 4/20 0.47
PPARA Q07869 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
XBP1 P17861 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.44
CES2 O00748 1/20 0.44
NR4A2 P43354 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL15765735 0.91 KDM4E (0.57) KDM4EMAPTLMNAFAAHPRSS1
SCHEMBL28327548 0.86 KDM4E (0.54) KDM4EMAPTLMNAFAAHPRSS1
SCHEMBL11097140 0.84 MAPT (0.52) KDM4EMAPTLMNAFAAHPRSS1
SCHEMBL15763956 0.84 LMNA (0.53) KDM4EMAPTLMNAFAAHPRSS1
SCHEMBL1799848 0.81 ACHE (0.56) KDM4EMAPTLMNAFAAHPRSS1
SCHEMBL28651225 0.81 KDM4E (0.55) KDM4EMAPTLMNAFAAHPRSS1
Butane SCHEMBL1043809 0.81 FAAH (0.53) KDM4EMAPTLMNAFAAHPRSS1
SCHEMBL1995788 0.79 FAAH (0.53) KDM4EMAPTLMNAFAAHPRSS1
SCHEMBL27671575 0.79 SMN1; SMN2 (0.56) KDM4EMAPTLMNAFAAHPRSS1
SCHEMBL30116329 0.79 PRSS1 (0.55) KDM4EMAPTLMNAFAAHPRSS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed