SCHEMBL9717433

SCHEMBL9717433

O=C(NCCCO)c1ccc(C(=O)NCCCO)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
ALDH1A1 P00352 2/20 0.62
MAPK1 P28482 1/20 0.60
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
HPGD P15428 3/20 0.55
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPK14 Q16539 1/20 0.52
NAAA Q02083 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL9862834 0.92 HDAC3 (0.61) POLBALDH1A1MAPK1NPC1RAB9A
SCHEMBL29833827 0.91 POLB (0.74) POLBALDH1A1MAPK1NPC1RAB9A
SCHEMBL3000921 0.90 POLB (0.58) POLBALDH1A1MAPK1NPC1RAB9A
SCHEMBL3000922 0.90 POLB (0.58) POLBALDH1A1MAPK1NPC1RAB9A
SCHEMBL6207746 0.90 L3MBTL1 (0.70) POLBALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL970780 0.90 NPC1 (0.62) POLBALDH1A1MAPK1NPC1RAB9A
SCHEMBL2302774 0.90 NPC1 (0.64) POLBALDH1A1MAPK1NPC1RAB9A
SCHEMBL2021484 0.90 NPC1 (0.68) POLBALDH1A1NPC1RAB9AHPGD
SCHEMBL14052678 0.89 POLB (0.57) POLBALDH1A1MAPK1NPC1RAB9A
SCHEMBL12831421 0.87 POLB (0.55) POLBALDH1A1MAPK1NPC1RAB9A

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-5086104-A Mixture of thermoplastic resin, elastomer and amide compound, excellent toughtness, heat resistance and durability POLYPLASTICS CO., LTD. (JP) 1992-02-04 US disclosed