SCHEMBL18509434

SCHEMBL18509434

Cn1cc(CCC(=O)O)c2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
CDK2 P24941 1/20 0.52
PLA2G4A P47712 3/20 0.49
SNCA P37840 1/20 0.48
TBXAS1 P24557 1/20 0.47
MEN1 O00255 2/20 0.45
KMO O15229 2/20 0.45
MCL1 Q07820 1/20 0.45
OXER1 Q8TDS5 1/20 0.45
NQO2 P16083 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43

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
SCHEMBL23226415 0.89 MCL1 (0.53) KMT2ACDK2PLA2G4ATBXAS1MEN1
SCHEMBL6242130 0.85 KMT2A (0.52) KMT2ACDK2SNCATBXAS1CPT2
SCHEMBL7790383 0.85 KMT2A (0.54) KMT2ACDK2SNCAMEN1NQO2
SCHEMBL20119843 0.84 SPR (0.60) KMT2APLA2G4AMEN1NQO2MTNR1A
SCHEMBL18509793 0.84 TP53 (0.53) KMT2ACDK2PLA2G4ATBXAS1MEN1
SCHEMBL18509874 0.83 HPGD (0.51) KMT2APLA2G4AMEN1NQO2MTNR1A
SCHEMBL18509694 0.83 LMNA (0.49) KMT2ACDK2PLA2G4ATBXAS1MEN1
SCHEMBL6242735 0.82 CDK2 (0.47) KMT2ACDK2SNCAMEN1NQO2
SCHEMBL18509430 0.81 NR4A2 (0.55) KMT2ACDK2PLA2G4AMEN1
SCHEMBL18509316 0.81 KMT2A (0.44) KMT2APLA2G4AMEN1NQO2MTNR1A

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 6 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
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 WO disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO disclosed