SCHEMBL29853089

SCHEMBL29853089

CC(C)(C)OC(=O)Cc1ccccc1OCc1cc2cc(C(=O)NCC3CC3)cc(-c3cccc(CN)c3)c2o1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.45
ACACA Q13085 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CFD P00746 14/20 0.41
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
F7 P08709 1/20 0.41
TPSB2 P20231 1/20 0.41
BRD4 O60885 1/20 0.36

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
SCHEMBL23218672 1.00 ACACB (0.45) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL23218915 0.90 CFD (0.52) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL29852739 0.90 CFD (0.52) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL29853242 0.89 CFD (0.42) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL23218429 0.89 CFD (0.42) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL23218562 0.88 CFD (0.44) CFDPLGPLAUF11KLKB1
SCHEMBL23218971 0.88 CFD (0.48) CFDPLGPLAUF11KLKB1
SCHEMBL23219143 0.84 CFD (0.49) CFDPLGPLAUF11KLKB1
SCHEMBL23218390 0.84 ACACB (0.42) ACACBACACABRD4
SCHEMBL29853205 0.84 ACACB (0.42) ACACBACACABRD4

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