SCHEMBL18509752

SCHEMBL18509752

Cc1c(CCC(=O)O)c2cc(-c3ccncc3)ccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.46
TBXAS1 P24557 3/20 0.44
NR4A2 P43354 1/20 0.44
PLA2G4A P47712 1/20 0.43
EGFR P00533 1/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
SPR P35270 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
PTGS1 P23219 1/20 0.40
GPR17 Q13304 2/20 0.39
NPY5R Q15761 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HDAC3 O15379 1/20 0.39
PTK2 Q05397 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL20119873 0.90 RXRA (0.45) NR4A2PLA2G4AEGFRRXRARXRB
SCHEMBL18509702 0.89 PLA2G4A (0.51) TBXAS1NR4A2PLA2G4AEGFRAKR1C3
SCHEMBL19872648 0.83 NR4A2 (0.46) TACR1NR4A2SPRRXRARXRB
SCHEMBL20120108 0.80 KDM4E (0.50) PLA2G4AEGFRAKR1C3AKR1C2SPR
SCHEMBL18509750 0.80 NR4A2 (0.41) TACR1NR4A2RXRARXRBHDAC8
SCHEMBL18509545 0.79 SPR (0.59) PLA2G4AEGFRAKR1C3AKR1C2SPR
SCHEMBL18509737 0.79 RXRA (0.54) PLA2G4AEGFRRXRARXRBGPR17
SCHEMBL18509730 0.78 PLA2G4A (0.47) TACR1PLA2G4AEGFRAKR1C3AKR1C2
SCHEMBL18509564 0.78 AKR1C3 (0.56) TACR1TBXAS1PLA2G4AEGFRAKR1C3
SCHEMBL18509742 0.78 PLA2G2A (0.48) TBXAS1PLA2G4AEGFRAKR1C3AKR1C2

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 5 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-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO disclosed