SCHEMBL29957571

SCHEMBL29957571

Cc1ccc(F)c(O)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.48
CYP3A4 P08684 2/20 0.38
MAPT P10636 1/20 0.38
PADI4 Q9UM07 1/20 0.36
AR P10275 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
AOX1 Q06278 1/20 0.33
ALB P02768 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL1678780 1.00 ERN1 (0.48) ERN1CYP3A4MAPTPADI4AR
SCHEMBL4748663 0.83 ERN1 (0.44) ERN1CYP3A4MAPTPADI4AR
SCHEMBL29397237 0.82 CYP3A4 (0.42) ERN1CYP3A4MAPTPADI4AR
SCHEMBL29952205 0.82 ERN1 (0.56) ERN1CYP3A4PADI4ALB
SCHEMBL1804679 0.82 ERN1 (0.56) ERN1CYP3A4PADI4ALB
SCHEMBL3966986 0.82 CYP3A4 (0.42) ERN1CYP3A4MAPTPADI4AR
SCHEMBL694494 0.78 ERN1 (0.38) ERN1CYP3A4ALDH1A1
SCHEMBL29950646 0.78 ERN1 (0.38) ERN1CYP3A4ALDH1A1
SCHEMBL4650198 0.78 CYP3A4 (0.44) ERN1CYP3A4MAPTPADI4KDM4E
SCHEMBL30884654 0.78 ERN1 (0.52) ERN1CYP3A4MAPTPADI4KDM4E

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed