SCHEMBL7124922

SCHEMBL7124922

COc1cc(C(=O)C(=CC=C(C(=O)c2ccc(F)c(F)c2)c2cc(-c3cccs3)ccc2OC)c2cc(-c3cccs3)ccc2OC)ccc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 12/20 0.61
MRGPRX4 Q96LA9 1/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
PAX8 Q06710 1/20 0.42
KLF5 Q13887 1/20 0.42
HIF1A Q16665 1/20 0.42
RXRA P19793 1/20 0.42
HPGD P15428 1/20 0.41
PTPN7 P35236 1/20 0.41
PTPN12 Q05209 1/20 0.41
PTPN22 Q9Y2R2 1/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 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
SCHEMBL7121640 0.84 TNFRSF1A (0.64) TNFRSF1ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL7090129 0.77 TNFRSF1A (0.55) TNFRSF1A
SCHEMBL5575701 0.76 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5575695 0.76 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL7087083 0.75 TNFRSF1A (0.54) TNFRSF1A
SCHEMBL6986840 0.74 TNFRSF1A (0.65) TNFRSF1AHPGD
SCHEMBL6092023 0.73 TNFRSF1A (0.55) TNFRSF1A
SCHEMBL7087566 0.71 TNFRSF1A (0.55) TNFRSF1A
SCHEMBL6091965 0.70 TNFRSF1A (0.52) TNFRSF1A
SCHEMBL6040654 0.70 TNFRSF1A (0.52) TNFRSF1A

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-2003033662-A2 PROTECTION AGAINST OXIDATIVE STRESS AND INFLAMMATION BY A CYTOPROTECTIVE RESPONSE ELEMENT ATHEROGENICS, INC. (US) 2003-04-24 WO disclosed