SCHEMBL6022296

SCHEMBL6022296

CC(C)(C)[Si](C)(C)OCc1noc(-c2ccc(C(F)(F)F)cc2)c1Br

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 11/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
CASP3 P42574 1/20 0.36
TACR1 P25103 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS2 P35354 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL5458474 0.73 PPARD (0.48) TRPV1MEN1KMT2AKDM4EPOLB
SCHEMBL27787498 0.72 TRPV1 (0.44) TRPV1MEN1KMT2ACASP3SIRT2
SCHEMBL5016811 0.71 PTPN1 (0.34) LMNAKDM4ERAB9ASMN1; SMN2
SCHEMBL18490110 0.71 MAPT (0.33) MEN1KMT2AKDM4ERAB9ASMN1; SMN2
SCHEMBL3230809 0.70 GAA (0.46) SMN1; SMN2
SCHEMBL16318892 0.70 PPARD (0.41)
SCHEMBL1600324 0.68 IDO1 (0.41) TACR1
SCHEMBL5438421 0.67 GSTP1 (0.37) TRPV1MEN1KMT2ALMNATHRB
SCHEMBL16319093 0.67 L3MBTL1 (0.65) MEN1KMT2ALMNACASP3KDM4E
SCHEMBL766830 0.67 TRPV1 (0.55) TRPV1MEN1KMT2AKDM4E

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
EP-1690538-A1 ISOXAZOLE DERIVATIVE HAVING AGONISTIC ACTIVITY AGAINST PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR SHIONOGI & CO., LTD. (JP) 2006-08-16 EP disclosed