SCHEMBL7927019

SCHEMBL7927019

O=C(O)C=CCN(C(=O)c1cccc(O)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
ADRA2C P18825 1/20 0.40
PDK1 Q15118 1/20 0.39
CHRNA7 P36544 2/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
PARP1 P09874 1/20 0.38
P4HB P07237 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL6911488 0.85 KMT2A (0.47) MEN1KMT2APOLBTSHRADRA2C
SCHEMBL6909358 0.85 KMT2A (0.48) MEN1KMT2APOLBTSHRADRA2C
SCHEMBL11503382 0.79 ADRA2C (0.49) MEN1KMT2APOLBTSHRCA12
SCHEMBL7987353 0.79 MEN1 (0.59) MEN1KMT2ATSHRCA12CA1
SCHEMBL6909361 0.78 MEN1 (0.47) MEN1KMT2APOLBTSHRADRA2C
SCHEMBL6909155 0.76 TSHR (0.45) MEN1KMT2ATSHRCA12CA1
SCHEMBL2112860 0.73 ESR1 (0.58) MEN1KMT2APOLBTSHRCA12
SCHEMBL6908305 0.72 KDM4E (0.47) MEN1KMT2APOLBTSHRADRA2C
SCHEMBL9509046 0.71 TSHR (0.73) MEN1KMT2APOLBTSHRADRA2C
SCHEMBL28637636 0.70 TSHR (0.70) MEN1KMT2APOLBTSHRADRA2C

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-1086959-A1 CROSSLINKED COPOLYMER OF UNSATURATED CARBOXYLIC ACID AND PROCESS FOR PRODUCING THE SAME, COPOLYMER OF UNSATURATED CARBOXYLIC ACID, BIODEGRADABLE BUILDER, AND DETERGENT COMPOSITION IDEMITSU PETROCHEMICAL CO., LTD. (JP) 2001-03-28 EP disclosed