SCHEMBL9458368

SCHEMBL9458368

O=C(O)c1ccc2c(c1)C(=O)N(c1cccc(Oc3cccc(N4C(=O)c5ccc(C(=O)O)cc5C4=O)c3)c1)C2=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.76
LPAR1 Q92633 1/20 0.76
LPAR5 Q9H1C0 1/20 0.76
LPAR3 Q9UBY5 1/20 0.76
KMT2A Q03164 5/20 0.71
POLB P06746 5/20 0.71
MEN1 O00255 4/20 0.71
MAPK1 P28482 1/20 0.71
NPSR1 Q6W5P4 1/20 0.60
S100B P04271 1/20 0.60
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
RECQL P46063 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
GFER P55789 1/20 0.58
BRD4 O60885 1/20 0.57
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA4 P22748 2/20 0.56
CA9 Q16790 2/20 0.56

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
SCHEMBL9803534 0.95 LPAR1 (0.77) HSD17B10LPAR1LPAR5LPAR3KMT2A
SCHEMBL9564308 0.90 HSD17B10 (0.72) HSD17B10LPAR1LPAR5LPAR3KMT2A
SCHEMBL5010967 0.89 HSD17B10 (0.77) HSD17B10LPAR1LPAR5LPAR3KMT2A
SCHEMBL18504179 0.88 LPAR1 (0.82) HSD17B10LPAR1LPAR5LPAR3KMT2A
SCHEMBL4230581 0.88 S100B (0.74) HSD17B10LPAR1LPAR5LPAR3KMT2A
SCHEMBL29794535 0.87 LPAR3 (1.00) HSD17B10LPAR1LPAR5LPAR3KMT2A
SCHEMBL22189952 0.87 LPAR3 (1.00) HSD17B10LPAR1LPAR5LPAR3KMT2A
SCHEMBL7570223 0.87 HSD17B10 (1.00) HSD17B10LPAR1LPAR5LPAR3KMT2A
SCHEMBL9564302 0.85 POLB (0.68) HSD17B10LPAR1LPAR5LPAR3KMT2A
SCHEMBL1618163 0.85 KMT2A (0.76) HSD17B10KMT2APOLBMEN1NPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217571-A Pretreatment, applying to surface in solvent BASF AKTIENGESELLSCHAFT (DE) 1993-06-08 US disclosed
EP-0476332-A2 Process for surface treatment of liquid crystal polymer articles BASF Aktiengesellschaft (DE) 1992-03-25 EP disclosed
US-5092890-A Thermotropic mesomorphic polymer, apatite, filler BASF AKTIENGESELLSCHAFT (DE) 1992-03-03 US disclosed
US-5068308-A Multistage polycondensation of aromatic compounds and separation of product from fatty acid BASF AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed
EP-0378102-A2 Implantation materials BASF Aktiengesellschaft (DE) 1990-07-18 EP disclosed