SCHEMBL11070058

SCHEMBL11070058

CCOC(=O)CCN(Cc1ccccc1)OC(=O)C(CC)(CC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LTA4H P09960 2/20 0.43
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.40
PPID Q08752 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RECQL P46063 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RIPK1 Q13546 1/20 0.36

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
SCHEMBL16989819 0.75 RIPK1 (0.48) SMN1; SMN2ALDH1A1KMT2ALMNANPC1
SCHEMBL1140947 0.75 SMN1; SMN2 (0.55) ALOX5SMN1; SMN2LTA4HALDH1A1MAPK1
SCHEMBL9324850 0.75 SMN1; SMN2 (0.55) ALOX5SMN1; SMN2LTA4HALDH1A1MAPK1
SCHEMBL1303146 0.74 LTA4H (0.62) ALOX5SMN1; SMN2LTA4HALDH1A1KMT2A
SCHEMBL14350237 0.73 SMN1; SMN2 (0.50) ALOX5SMN1; SMN2LTA4HALDH1A1MAPK1
SCHEMBL11069887 0.73 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1KMT2ATDP1POLB
SCHEMBL5176893 0.72 BCHE (0.57) ALOX5SMN1; SMN2LTA4HALDH1A1MAPK1
SCHEMBL2238587 0.72 ALOX5 (0.49) ALOX5SMN1; SMN2LTA4HALDH1A1MAPK1
SCHEMBL4137813 0.72 HDAC3 (0.51) ALOX5SMN1; SMN2LTA4HALDH1A1MAPK1
SCHEMBL4321470 0.71 SMN1; SMN2 (0.51) ALOX5SMN1; SMN2LTA4HALDH1A1MAPK1

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
US-4435322-A Heterocyclic compounds containing an alkoxycarbonyl and a substituted methyl group RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1984-03-06 US disclosed