SCHEMBL29853071

SCHEMBL29853071

CCOC(=O)Cc1ccc(C2CC2)cc1OCc1coc2ccc(-c3cccc(CNC(=O)OC(C)(C)C)c3)cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.35
CREBBP Q92793 1/20 0.35
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.33
FFAR1 O14842 1/20 0.32
KLK7 P49862 2/20 0.32
BCHE P06276 1/20 0.32
CNR2 P34972 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
KLK5 Q9Y337 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ACACB O00763 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ACACA Q13085 1/20 0.32
HDAC1 Q13547 1/20 0.32
CFD P00746 1/20 0.31

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
SCHEMBL23218268 1.00 BRD4 (0.35) BRD4CREBBPTP53CASP1FFAR1
SCHEMBL23218473 0.90 TP53 (0.35) BRD4CREBBPTP53CASP1PDCD1
SCHEMBL29852424 0.90 TP53 (0.35) BRD4CREBBPTP53CASP1PDCD1
SCHEMBL23218162 0.89 GRM2 (0.36) BRD4CREBBPTP53CASP1BCHE
SCHEMBL29852557 0.89 GRM2 (0.36) BRD4CREBBPTP53CASP1BCHE
SCHEMBL23218237 0.89 TP53 (0.36) BRD4CREBBPTP53CASP1FFAR1
SCHEMBL29852677 0.89 TP53 (0.36) BRD4CREBBPTP53CASP1FFAR1
SCHEMBL29852642 0.86 CFD (0.42) CASP1FFAR1CFDMAPTMEN1
SCHEMBL23218124 0.86 CFD (0.42) CASP1FFAR1CFDMAPTMEN1
SCHEMBL21439543 0.82 CFD (0.43) BRD4CREBBPPDCD1CD274CFD

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-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed