SCHEMBL9638467

SCHEMBL9638467

O=C1CC(O)C(=O)N1c1ccc(Cc2ccc(N3C(=O)CC(O)C3=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
MGLL Q99685 1/20 0.47
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
KCNH2 Q12809 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
HTT P42858 1/20 0.42
ADAM17 P78536 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MT-CO2 P00403 1/20 0.41
ALOX5 P09917 1/20 0.41
POLB P06746 2/20 0.41
TRIP13 Q15645 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL8530088 0.80 MT-CO2 (0.55) ALDH1A1SMN1; SMN2LMNAL3MBTL1GAA
SCHEMBL7923850 0.79 FAAH (0.47) FAAHMGLLALDH1A1SMN1; SMN2LMNA
SCHEMBL16681934 0.79 ALDH1A1 (0.47) FAAHMGLLALDH1A1SMN1; SMN2LMNA
SCHEMBL16675655 0.79 GAA (0.48) FAAHMGLLALDH1A1SMN1; SMN2LMNA
SCHEMBL8636371 0.77 ALDH1A1 (0.59) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL22571115 0.77 ALDH1A1 (0.59) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL4241499 0.77 ADAM17 (0.70) ALDH1A1SMN1; SMN2L3MBTL1HPGDGAA
SCHEMBL16675654 0.73 MGLL (0.57) FAAHMGLLALDH1A1SMN1; SMN2LMNA
SCHEMBL18700229 0.73 GAA (0.43) FAAHMGLLALDH1A1SMN1; SMN2LMNA
SCHEMBL14159540 0.73 MGLL (0.62) FAAHMGLLALDH1A1SMN1; SMN2LMNA

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
US-5084544-A Reaction of polyepoxides and polyisocyanates to form polyurethanes BAYER AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed
US-4303779-A Thermosetting imide resins from dihydrazide TECHNOCHEMIE GMBH-VERFAHRENSTECHNIK (DE) 1981-12-01 US disclosed