SCHEMBL20120035

SCHEMBL20120035

C=Cc1cccc2[nH]cc(CCC(=O)O)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 2/20 0.50
GAA P10253 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
DNMT1 P26358 1/20 0.47
RECQL P46063 1/20 0.47
CASP6 P55212 1/20 0.47
KMT2A Q03164 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
PDPK1 O15530 1/20 0.43
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL22303037 0.83 HTR2A (0.43) MTNR1AMTNR1BHTR2CHTR2AHTR1A
SCHEMBL15323836 0.80 GAA (0.72) GPR17GAAALDH1A1MAPTKDM4E
SCHEMBL16540351 0.78 GPR17 (0.69) GPR17GAAALDH1A1MAPTKDM4E
SCHEMBL20935015 0.78 GPR17 (0.54) GPR17GAAALDH1A1MAPTKDM4E
SCHEMBL18509280 0.78 GPR17 (0.55) GPR17GAAALDH1A1MAPTKDM4E
SCHEMBL15141741 0.78 HTR2A (0.65) GPR17GAAALDH1A1MAPTKDM4E
SCHEMBL15142475 0.78 GPR84 (0.61) GPR17GAAALDH1A1MAPTKDM4E
SCHEMBL31036403 0.78 GPR84 (0.61) GPR17GAAALDH1A1MAPTKDM4E
SCHEMBL18509882 0.78 HTT (0.51) GPR17GAAALDH1A1MAPTHPGD
SCHEMBL18029021 0.77 KMT2A (0.58) GAAALDH1A1MAPTKDM4EMEN1

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-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 WO disclosed