SCHEMBL23226331

SCHEMBL23226331

Cc1c(CCC(=O)O)c2ccc(N3CCOCC3)cc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 2/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 7/20 0.41
CYP2C19 P33261 1/20 0.41
PRKDC P78527 2/20 0.41
TACR1 P25103 1/20 0.41
KMO O15229 1/20 0.40
GAA P10253 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
EGFR P00533 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL21396246 0.91 PLA2G4A (0.49) PLA2G4AMEN1KMT2AALDH1A1LMNA
SCHEMBL18029390 0.81 PTGS2 (0.41) PLA2G4AMEN1KMT2AALDH1A1LMNA
SCHEMBL19872670 0.79 LRRK2 (0.39) PLA2G4AMEN1KMT2AALDH1A1KDM4E
SCHEMBL21392032 0.78 KLK6 (0.47) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL18509483 0.78 EGFR (0.49) PLA2G4AMEN1KMT2AALDH1A1KDM4E
SCHEMBL31675773 0.77 MAPT (0.43) MEN1KMT2AALDH1A1LMNAKDM4E
SCHEMBL19872728 0.76 KDM4E (0.50) PLA2G4AALDH1A1KDM4EGAANPC1
SCHEMBL20119973 0.76 LMNA (0.43) PLA2G4AMEN1KMT2AALDH1A1LMNA
SCHEMBL19872669 0.75 AKR1C3 (0.53) PLA2G4AALDH1A1KDM4EEGFRHSD17B10
SCHEMBL20120068 0.75 EGLN1 (0.52) PLA2G4AALDH1A1KDM4EMAPTKMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
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