SCHEMBL13960331

SCHEMBL13960331

[O-][S+](CCc1ccccc1)Cc1ccc(-c2ccc(O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.44
BCL2L1 Q07817 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HCAR2 Q8TDS4 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
IDO1 P14902 1/20 0.39
FFAR1 O14842 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38

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
SCHEMBL10133062 0.90 FFAR1 (0.43) MEN1LMNARAB9AKMT2AIDO1
SCHEMBL10455047 0.78 ESR1 (0.67) MMP3BCL2L1FNTAFNTBESR1
SCHEMBL349504 0.74 ALDH1A1 (0.48) LMNARAB9ASIGMAR1IDO1
SCHEMBL61714 0.74 ESR1 (0.50) FNTAFNTBESR1ESR2MEN1
SCHEMBL6503361 0.74 CALM1 (0.41) IDO1
SCHEMBL717373 0.72 ESR1 (0.78) FNTAFNTBESR1ESR2KMT2A
SCHEMBL10729584 0.71 TDP1 (0.44) FNTAFNTBIDO1
SCHEMBL22250999 0.71 ESR1 (0.54) ESR1ESR2LMNAKMT2ASIGMAR1
SCHEMBL28690497 0.71 FNTA (0.47) FNTAFNTBMEN1LMNAMAPT
SCHEMBL10133086 0.71 HIF1A (0.41) RAB9A

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-2009009041-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2009-01-15 WO disclosed