SCHEMBL29288587

SCHEMBL29288587

c1ccc(NOc2ccc(Oc3ccc(ONc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.50
TSHR P16473 1/20 0.50
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
MAOA P21397 1/20 0.44
PGR P06401 4/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TGM2 P21980 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 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
SCHEMBL19411968 0.93 ALDH1A1 (0.43) LTA4HTSHRHPGDSMN1; SMN2HTT
SCHEMBL29088062 0.90 MAOA (0.63) LTA4HTSHRMAOAHPGDSMN1; SMN2
SCHEMBL251644 0.87 ALDH1A1 (0.43) LTA4HTSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL29448429 0.86 CYP1A2 (0.38) TSHRCA1CA2ALDH1A1CA9
SCHEMBL10773638 0.84 ALDH1A1 (0.59) TSHRHPGDHTTALDH1A1MEN1
SCHEMBL8760585 0.84 CYP1A2 (0.41) SMN1; SMN2CA1CA2ALDH1A1CA9
SCHEMBL6510351 0.82 HPGD (0.52) TSHRHPGDSMN1; SMN2CA1CA2
SCHEMBL623079 0.82 HPGD (0.50) TSHRPGRHPGDSMN1; SMN2HTT
SCHEMBL1283610 0.82 HPGD (0.47) LTA4HHPGDALDH1A1MEN1KMT2A
SCHEMBL29006124 0.82 MAPT (0.52) TSHRMAOASMN1; SMN2HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108884032-B Method for preparing poly (carbonate-etherimide) compounds PTT全球化学股份有限公司 2021-10-15 CN disclosed