SCHEMBL856030

SCHEMBL856030

NC(=O)c1ccc(OCc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.70
RXRB P28702 2/20 0.70
RXRG P48443 2/20 0.70
MAOB P27338 5/20 0.65
MRGPRX4 Q96LA9 7/20 0.57
PARP1 P09874 1/20 0.47
PARP10 Q53GL7 2/20 0.47
PTPN1 P18031 2/20 0.45
PTPN2 P17706 1/20 0.45
PTPN6 P29350 1/20 0.45

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
SCHEMBL855955 0.85 MAOB (0.62) RXRARXRBRXRGMAOBMRGPRX4
SCHEMBL3176541 0.80 S1PR1 (0.48) RXRARXRBRXRGMAOBMRGPRX4
SCHEMBL30576796 0.79 MAOB (1.00) MAOBMRGPRX4PARP10
SCHEMBL30354958 0.79 MAOB (0.60) RXRARXRBRXRGMAOBMRGPRX4
SCHEMBL30417785 0.77 MAOB (0.76) MAOBMRGPRX4PTPN1PTPN2PTPN6
SCHEMBL7442111 0.77 MAOB (0.76) MAOBMRGPRX4PTPN1PTPN2PTPN6
SCHEMBL79709 0.77 RXRA (0.72) RXRARXRBRXRGMRGPRX4
SCHEMBL3427596 0.77 S1PR1 (0.46) RXRARXRBRXRGMAOBMRGPRX4
SCHEMBL856364 0.76 RXRA (0.59) RXRARXRBRXRGMAOBPTPN1
SCHEMBL8337229 0.75 MAOB (0.53) RXRARXRBRXRGMAOBMRGPRX4

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
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed
US-8143271-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-03-27 US disclosed