SCHEMBL28804381

SCHEMBL28804381

C=C(C)C(=O)OC(C)NC(=O)Nc1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP1A2 P05177 1/20 0.50
TRPV1 Q8NER1 1/20 0.42
EPHX2 P34913 1/20 0.42
BAZ1A Q9NRL2 1/20 0.42
NLRP3 Q96P20 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL12310351 0.85 HSD17B10 (0.53) EPHX2MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL17284155 0.84 MEN1 (0.45) ALDH1A1EPHX2MEN1KMT2ATHRB
SCHEMBL28964245 0.81 TSHR (0.46) ALDH1A1CYP1A2EPHX2MEN1KMT2A
SCHEMBL28804180 0.79 ALDH1A1 (0.55) ALDH1A1CYP1A2TRPV1EPHX2BAZ1A
SCHEMBL11224931 0.77 CA12 (0.61) ALDH1A1CYP1A2TRPV1EPHX2BAZ1A
SCHEMBL1735651 0.75 ALDH1A1 (0.51) ALDH1A1CYP1A2TRPV1EPHX2BAZ1A
SCHEMBL8735219 0.74 L3MBTL1 (0.44) ALDH1A1EPHX2MEN1KMT2ASMN1; SMN2
SCHEMBL3252213 0.73 ALDH1A1 (0.49) ALDH1A1CYP1A2TRPV1EPHX2BAZ1A
SCHEMBL216958 0.73 TDP1 (0.70) ALDH1A1CYP1A2TRPV1NLRP3MEN1
SCHEMBL8735211 0.72 HSD17B10 (0.45) TRPV1EPHX2MEN1KMT2ACA12

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-109791361-B Positive lithographic printing plate precursor, method for producing same, and method for producing lithographic printing plate 富士胶片株式会社 2022-06-03 CN disclosed