SCHEMBL7121640

SCHEMBL7121640

COc1cc(C(=O)C(=CC=C(C(=O)c2ccc(OCc3ccc(N)cc3)c(OC)c2)c2cc(-c3cccs3)ccc2OC)c2cc(-c3cccs3)ccc2OC)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 14/20 0.64
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL7124922 0.84 TNFRSF1A (0.61) TNFRSF1ASMN1; SMN2NPC1HPGDRAB9A
SCHEMBL5576253 0.78 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL5576256 0.78 TNFRSF1A (1.00) TNFRSF1A
SCHEMBL7090129 0.78 TNFRSF1A (0.55) TNFRSF1AMAPT
SCHEMBL6986840 0.77 TNFRSF1A (0.65) TNFRSF1AHPGDMAPT
SCHEMBL7087083 0.76 TNFRSF1A (0.54) TNFRSF1AHDAC1HDAC2MAPT
SCHEMBL6990108 0.76 TNFRSF1A (0.60) TNFRSF1AHDAC1HDAC2RAB9A
SCHEMBL6092896 0.72 TNFRSF1A (0.52) TNFRSF1AHDAC1HDAC2
SCHEMBL7087566 0.72 TNFRSF1A (0.55) TNFRSF1AHDAC1HDAC2
SCHEMBL7090922 0.70 TNFRSF1A (0.53) TNFRSF1ASMN1; SMN2HPGDMAPT

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