SCHEMBL28488445

SCHEMBL28488445

CCCCC(CC(=O)O)N(CCC)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GPR84 Q9NQS5 4/20 0.37
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
PDF Q9HBH1 1/20 0.33
MAPK1 P28482 1/20 0.33
PTGIR P43119 1/20 0.32
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
EPHX2 P34913 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL28488431 0.94 ALDH1A1 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28486056 0.91 POLB (0.40) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28494389 0.89 GPR84 (0.38) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28485972 0.88 POLB (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28490865 0.86 ALDH1A1 (0.41) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28488782 0.85 GPR84 (0.35) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL20180242 0.84 ALDH1A1 (0.35) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28903528 0.83 ALDH1A1 (0.42) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL20166073 0.82 ALDH1A1 (0.38) ALDH1A1LMNAPOLBHSD17B10L3MBTL1
SCHEMBL28485049 0.82 ALDH1A1 (0.38) ALDH1A1LMNAPOLBHSD17B10L3MBTL1

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
CN-109890852-B Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2020-10-20 CN disclosed