SCHEMBL23226325

SCHEMBL23226325

CSc1cccc2cc(Cc3cc(SC)c4[nH]c(C)c(CCC(=O)O)c4c3)[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.38
TBXAS1 P24557 1/20 0.37
APEX1 P27695 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
FBP1 P09467 3/20 0.33
KDM5B Q9UGL1 1/20 0.33
FFAR1 O14842 2/20 0.32
GPR17 Q13304 1/20 0.32
PPARG P37231 1/20 0.32
SRC P12931 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.31
THRB P10828 1/20 0.31
HPGD P15428 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18509733 0.81 EGFR (0.55) EGFRAPEX1MEN1KMT2AKDM4E
SCHEMBL18509959 0.67 GPR17 (0.47) EGFRTBXAS1APEX1KDM4EGAA
SCHEMBL20120113 0.66 KDM4E (0.73) EGFRAPEX1MEN1KMT2AKDM4E
SCHEMBL19872722 0.65 EGFR (0.56) EGFRAPEX1MEN1KMT2AKDM4E
SCHEMBL18509938 0.64 EGFR (0.54) EGFRAPEX1MEN1KMT2AKDM4E
SCHEMBL20119993 0.64 EGFR (0.54) EGFRAPEX1MEN1KMT2AKDM4E
SCHEMBL20120170 0.64 EGFR (0.54) EGFRAPEX1MEN1KMT2AKDM4E
SCHEMBL18509719 0.64 EGFR (0.54) EGFRAPEX1MEN1KMT2AKDM4E
SCHEMBL19872772 0.62 APEX1 (0.56) EGFRTBXAS1APEX1MEN1KMT2A
SCHEMBL20935034 0.62 EGFR (0.55) EGFRTBXAS1APEX1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed
US-11591627-B2 Modified bacteria for production of nitroaromatics UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-02-28 US disclosed
US-20210108237-A1 WHOLE CELL PROCESSES TO PRODUCE NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2021-04-15 US disclosed