SCHEMBL11698149

SCHEMBL11698149

CCCC(=O)Nc1cc(N(CCC#N)CCC(=O)OC)ccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 4/20 0.41
SLC16A1 P53985 4/20 0.41
ALDH1A1 P00352 4/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTNR1B P49286 2/20 0.33
MTNR1A P48039 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL11696313 0.77 ALDH1A1 (0.42) SLC16A3SLC16A1ALDH1A1POLBL3MBTL1
SCHEMBL17236308 0.75 MAPT (0.47) SLC16A3SLC16A1ALDH1A1L3MBTL1NPC1
SCHEMBL11698115 0.72 ALDH1A1 (0.51) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL11330158 0.71 USP2 (0.51) ALDH1A1POLBTSHRSMN1; SMN2CYP1A2
SCHEMBL8542152 0.71 GFER (0.44) ALDH1A1NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL11273102 0.71 ALDH1A1 (0.40) SLC16A3SLC16A1ALDH1A1L3MBTL1NPC1
SCHEMBL11695906 0.69 RORC (0.45) ALDH1A1POLBL3MBTL1NPC1RAB9A
SCHEMBL11735836 0.69 ALDH1A1 (0.48) ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10936725 0.68 ALDH1A1 (0.47) SLC16A3SLC16A1ALDH1A1L3MBTL1NPC1
SCHEMBL9835918 0.67 ALDH1A1 (0.46) SLC16A3SLC16A1ALDH1A1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4002616-A POLYESTERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-01-11 US disclosed
US-3962220-A ONE-STEP, AROMATIC ALDEHYDES, ACETIC ACID E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed
US-3962221-A CONDENSATION, REDUCTION, OXIDATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-06-08 US disclosed