SCHEMBL13699116

SCHEMBL13699116

COC(=O)c1cc(OCCOc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OCCOc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.55
MAPT P10636 2/20 0.50
RAB9A P51151 1/20 0.45
CES2 O00748 1/20 0.44
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
LMNA P02545 1/20 0.43
SCN9A Q15858 4/20 0.42
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
CFTR P13569 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL31144903 0.91 NOTUM (0.56) NOTUMMAPTRAB9ARHOCRHOA
SCHEMBL31144913 0.87 NOTUM (0.58) NOTUMMAPTRAB9ARHOCRHOA
SCHEMBL17703910 0.85 NOTUM (0.59) NOTUMMAPTRAB9ACES2LMNA
SCHEMBL13699188 0.83 PLA2G2A (0.53) CES2RHOCRHOAKMT2AMRGPRX4
SCHEMBL1999038 0.82 NOTUM (0.77) NOTUMMAPTCES2LMNAKDM4E
SCHEMBL25170108 0.81 NOTUM (0.55) NOTUMCES2LMNASCN9AMRGPRX4
SCHEMBL1189091 0.81 NOTUM (0.66) NOTUMCES2LMNAKDM4ECFTR
SCHEMBL2809253 0.80 MAPT (0.59) MAPTRAB9ALMNAKDM4ETDP1
SCHEMBL31179766 0.80 NOTUM (0.64) NOTUMMAPTCES2LMNAKDM4E
SCHEMBL2809599 0.79 ATF1 (0.46) NOTUMHTTKDM4EKMT2ATDP1

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
WO-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 WO disclosed