SCHEMBL23218136

SCHEMBL23218136

CC(C)(C)OC(=O)NCc1cccc(-c2ccc3occ(COc4cc(CC5CC5)ccc4CC(=O)O)c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 6/20 0.38
F11 P03951 6/20 0.38
KLKB1 P03952 4/20 0.38
HDAC1 Q13547 1/20 0.37
TP53 P04637 1/20 0.37
ACACB O00763 3/20 0.37
ACACA Q13085 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
SUCNR1 Q9BXA5 1/20 0.37
FFAR1 O14842 1/20 0.36
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
RXRA P19793 1/20 0.36
TPSB2 P20231 3/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.35

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
SCHEMBL23218473 0.92 TP53 (0.35) CFDHDAC1TP53ACACBACACA
SCHEMBL29852424 0.92 TP53 (0.35) CFDHDAC1TP53ACACBACACA
SCHEMBL16397392 0.88 CFD (0.45) CFDF11KLKB1HDAC1ACACB
SCHEMBL29852910 0.85 CFD (0.50) CFDF11KLKB1FFAR1TPSB2
SCHEMBL23218612 0.85 CFD (0.50) CFDF11KLKB1FFAR1TPSB2
SCHEMBL23218268 0.81 BRD4 (0.35) CFDHDAC1TP53ACACBACACA
SCHEMBL29853071 0.81 BRD4 (0.35) CFDHDAC1TP53ACACBACACA
SCHEMBL16397602 0.81 BRD4 (0.41) CFDF11KLKB1HDAC1ACACB
SCHEMBL23218162 0.79 GRM2 (0.36) CFDHDAC1TP53NR1H2NR1H3
SCHEMBL23218237 0.79 TP53 (0.36) CFDHDAC1TP53FFAR1NR1H2

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-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed