SCHEMBL8338284

SCHEMBL8338284

O=C(CCCCCN1C(=O)CCC1=O)OO

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
ALDH1A1 P00352 3/20 0.48
ALPL P05186 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 3/20 0.43
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.40
PTGS1 P23219 4/20 0.40
PTGS2 P35354 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL7796004 0.93 SMN1; SMN2 (0.44) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL10432974 0.87 SMN1; SMN2 (0.54) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL7802043 0.85 SMN1; SMN2 (0.40) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL19223897 0.83 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL16847503 0.83 SMN1; SMN2 (0.50) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL22834417 0.81 SMN1; SMN2 (0.48) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL10432975 0.80 MGLL (0.51) SMN1; SMN2HPGDHTTALDH1A1GAA
SCHEMBL31065087 0.80 SMN1; SMN2 (0.51) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL1618771 0.79 PTGS1 (0.61) SMN1; SMN2HPGDHTTALDH1A1ALPL
SCHEMBL8763346 0.79 SMN1; SMN2 (0.53) SMN1; SMN2HPGDHTTALDH1A1ALPL

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-5994284-A REACTING PHTHALIC ACID OR ANHYDRIDE WITH CAPROLACTAM; OXIDATION WITH HYDROGEN PEROXIDE CLARIANT GMBH (DE) 1999-11-30 US disclosed
US-5061807-A IMIDOPEROXYCARBOXYLIC ACIDS, PROCESSES FOR THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-29 US disclosed