SCHEMBL9748866

SCHEMBL9748866

C=CCc1cc(OC(C)=O)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.54
GABRB2 P47870 3/20 0.54
POLB P06746 3/20 0.51
ALOX5 P09917 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ACHE P22303 1/20 0.46
PTGS1 P23219 1/20 0.46
CYP3A4 P08684 1/20 0.45
PTPN1 P18031 4/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
GABRB1 P18505 1/20 0.44
RXRA P19793 1/20 0.44
CNR1 P21554 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44

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
SCHEMBL8418482 0.86 GABRA1 (0.50) GABRA1GABRB2POLBALOX5LMNA
SCHEMBL9490716 0.84 ALOX5 (0.63) POLBALOX5LMNAHTTALDH1A1
SCHEMBL27460470 0.84 GABRA1 (0.47) GABRA1GABRB2POLBALOX5LMNA
SCHEMBL27435426 0.83 GABRA1 (0.46) GABRA1GABRB2POLBLMNAHTT
SCHEMBL27435427 0.83 GABRA1 (0.46) GABRA1GABRB2POLBALOX5LMNA
SCHEMBL335296 0.81 GABRA1 (0.59) GABRA1GABRB2POLBALOX5ALDH1A1
SCHEMBL9542567 0.81 ALOX5 (0.50) POLBALOX5LMNAACHEPTGS1
SCHEMBL17257811 0.81 ALOX5 (0.44) POLBALOX5LMNAHTTACHE
SCHEMBL1951863 0.81 GABRA1 (0.63) GABRA1GABRB2POLBALOX5LMNA
SCHEMBL436493 0.79 ALOX5 (0.45) POLBALOX5LMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed