SCHEMBL15048859

SCHEMBL15048859

CC(C)Oc1cc(Cl)c(C(=O)O)cc1NN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 4/20 0.41
RORC P51449 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CISD1 Q9NZ45 1/20 0.40

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
SCHEMBL1788377 0.87 GAA (0.46) MAPTKDM4ETDP1ALDH1A1RORC
Hydrochloric Acid SCHEMBL27796031 0.86 GAA (0.44) MAPTKDM4ETDP1ALDH1A1RORC
Hydrochloric Acid SCHEMBL1787398 0.82 LRRK2 (0.46) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL15048858 0.80 ALDH1A1 (0.44) MAPTNPC1RAB9APOLBALDH1A1
SCHEMBL1785840 0.79 RAB9A (0.46) MAPTNPC1RAB9AKDM4EPOLB
Hydrochloric Acid SCHEMBL1787672 0.78 RAB9A (0.46) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL11948604 0.77 ALDH1A1 (0.44) MAPTNPC1RAB9AALDH1A1RORC
SCHEMBL1787070 0.76 ALDH1A1 (0.55) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL15048881 0.74 MAPT (0.50) MAPTNPC1RAB9AKDM4EPOLB
SCHEMBL2617486 0.74 ALDH1A1 (0.48) NPC1KDM4EPOLBALDH1A1RORC

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
EP-2607357-A1 BENZOTHIAZOLES AS GHRELIN RECEPTOR MODULATORS Astrazeneca AB (SE) 2013-06-26 EP disclosed