SCHEMBL13699188

SCHEMBL13699188

O=C(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 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.53
CES2 O00748 1/20 0.48
RXRA P19793 2/20 0.47
RXRB P28702 2/20 0.47
RXRG P48443 2/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
MRGPRX4 Q96LA9 6/20 0.46
NR4A2 P43354 2/20 0.46
RHOC P08134 1/20 0.43
RHOA P61586 1/20 0.43
PKM P14618 1/20 0.42
SOD1 P00441 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41

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
SCHEMBL17056237 0.84 PLA2G2A (0.63) PLA2G2AKMT2AMRGPRX4
SCHEMBL29434530 0.83 MRGPRX4 (0.47) PLA2G2ACES2RXRARXRBRXRG
SCHEMBL22530375 0.83 MRGPRX4 (0.47) PLA2G2ACES2RXRARXRBRXRG
SCHEMBL13699116 0.83 NOTUM (0.55) CES2KMT2AMRGPRX4RHOCRHOA
SCHEMBL849937 0.82 ALDH1A1 (0.48) PLA2G2ACES2RXRARXRBRXRG
SCHEMBL851512 0.81 ALDH1A1 (0.57) PLA2G2ACES2RXRARXRBRXRG
SCHEMBL25173367 0.80 MRGPRX4 (0.44) PLA2G2ACES2RXRARXRBRXRG
SCHEMBL29893219 0.80 MRGPRX4 (0.44) PLA2G2ACES2RXRARXRBRXRG
SCHEMBL977465 0.79 MAPT (0.55) PLA2G2ARXRAKMT2AMEN1MRGPRX4
SCHEMBL10930837 0.78 FFAR4 (0.50) RXRARXRBRXRGRHOCRHOA

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