SCHEMBL28565017

SCHEMBL28565017

CCc1ccccc1OC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
KDM4E B2RXH2 1/20 0.51
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
RXRA P19793 6/20 0.49
RXRB P28702 5/20 0.49
RXRG P48443 3/20 0.49
SLC6A3 Q01959 1/20 0.49
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
TSHR P16473 1/20 0.46
HPGD P15428 1/20 0.45
TAS2R14 Q9NYV8 1/20 0.44
MEN1 O00255 1/20 0.44
JAK2 O60674 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL434556 0.91 KMT2A (0.59) NPSR1MAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL29412194 0.91 KMT2A (0.59) NPSR1MAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL10919965 0.87 ESR1 (0.51) ALDH1A1NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL10782892 0.84 MAPT (0.62) NPSR1MAPTKMT2ASMN1; SMN2RXRA
SCHEMBL28321543 0.82 POLB (0.59) ALDH1A1NPSR1KDM4EMAPTKMT2A
SCHEMBL9628673 0.81 CYP2A6 (0.47) ALDH1A1NPSR1MAPTKMT2ASMN1; SMN2
SCHEMBL10924560 0.81 KMT2A (0.47) NPSR1KDM4EMAPTKMT2ASMN1; SMN2
SCHEMBL5157619 0.80 KDM4E (0.57) ALDH1A1KDM4EMAPTKMT2ASLC6A3
SCHEMBL3760693 0.80 NPSR1 (0.58) NPSR1MAPTKMT2ASMN1; SMN2SLC6A3
SCHEMBL28678136 0.79 RXRA (0.64) NPSR1MAPTKMT2ASMN1; SMN2RXRA

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-109336792-B Synthesis method of 4-methyl-N-phenyl-N- (2-phenylallyl) benzene sulfonamide compound 山东理工大学 2021-01-05 CN disclosed