SCHEMBL2498591

SCHEMBL2498591

Cc1ccccc1NC(=O)C1CC2OC2CC1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.64
PKM P14618 1/20 0.52
ITGB3 P05106 2/20 0.47
ITGB1 P05556 2/20 0.47
ITGAV P06756 2/20 0.47
ITGA5 P08648 2/20 0.47
ITGA4 P13612 2/20 0.47
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HPGD P15428 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL961995 0.81 KDM4E (0.66) ALDH1A1NPC1RAB9APOLBKDM4E
SCHEMBL29420722 0.81 KDM4E (0.66) ALDH1A1NPC1RAB9APOLBKDM4E
SCHEMBL960402 0.81 POLB (0.59) ALDH1A1LMNAHTTNPC1RAB9A
SCHEMBL4240386 0.80 ALDH1A1 (0.59) ALDH1A1LMNAPKMITGB3ITGB1
SCHEMBL961584 0.80 ALDH1A1 (0.59) ALDH1A1LMNAPKMITGB3ITGB1
SCHEMBL10904284 0.78 ALDH1A1 (0.56) ALDH1A1LMNAPKMITGB3ITGB1
SCHEMBL8999427 0.77 LMNA (0.42) ALDH1A1LMNAL3MBTL1POLBKDM4E
SCHEMBL10903893 0.74 ALDH1A1 (0.49) ALDH1A1LMNAPKMITGB3ITGB1
SCHEMBL10903793 0.74 POLB (0.53) ALDH1A1LMNAPKMITGB3ITGB1
SCHEMBL23387345 0.72 POLB (0.61) ALDH1A1LMNAHTTNPC1RAB9A

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-8030382-B2 Polylactic acid composition TEIJIN LIMITED (JP) 2011-10-04 US disclosed
US-20100093888-A1 POLYLACTIC ACID COMPOSITION TEIJIN LIMITED (JP) 2010-04-15 US disclosed
EP-2116576-A1 POLYLACTIC ACID COMPOSITION Teijin Limited (JP) 2009-11-11 EP disclosed