SCHEMBL11136377

SCHEMBL11136377

C=C(C)C(=O)NCCc1cc(S(=O)(=O)O)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.39
MTNR1A P48039 3/20 0.39
MTNR1B P49286 2/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 4/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
NLRP3 Q96P20 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL1607314 0.80 MTNR1A (0.45) NQO2MTNR1AMTNR1BHSD17B10KDM4E
SCHEMBL382478 0.79 NQO2 (0.51) NQO2ALDH1A1HTTNPSR1HSD17B10
SCHEMBL10596213 0.79 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HTTGAAHSD17B10
SCHEMBL11138119 0.77 THRB (0.42) ALDH1A1HTTTSHRKMT2APOLB
SCHEMBL10598218 0.76 SNCA (0.39) ALDH1A1SMN1; SMN2HTTGAAHSD17B10
SCHEMBL1804750 0.75 SNCA (0.38) ALDH1A1SMN1; SMN2HTTGAAHSD17B10
SCHEMBL1727437 0.75 SNCA (0.38) ALDH1A1HTTGAAHSD17B10TSHR
SCHEMBL3339141 0.75 FFAR4 (0.40) ALDH1A1HTTGAAHSD17B10TSHR
SCHEMBL22799192 0.74 PTGS2 (0.43) MTNR1AMTNR1BALDH1A1SMN1; SMN2GAA
SCHEMBL2057419 0.74 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HTTGAANPSR1

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-4396698-A CROSSLINKED CATIONIC ADDITION COPOLYMERS AND HYDROPHOBIC PHENOLIC-TYPE COMPOUNDS; LIGHT SENSITIVE ELEMENTS FUJI PHOTO FILM CO., LTD. (JP) 1983-08-02 US disclosed