SCHEMBL9412002

SCHEMBL9412002

CC(C)(C)C(O)C=Cc1ccc(Cl)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
GABRA1 P14867 2/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
PGR P06401 1/20 0.40
AR P10275 1/20 0.40
MAOA P21397 1/20 0.40
SLC6A2 P23975 1/20 0.40
PDE4A P27815 1/20 0.40
KDR P35968 1/20 0.40
GABRB2 P47870 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
SCHEMBL9412000 1.00 MAPT (0.43) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9412005 1.00 MAPT (0.43) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10321775 0.77 TDP1 (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3433690 0.77 TDP1 (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9412031 0.75 MAOA (0.51) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9412032 0.75 MAOA (0.51) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL9854147 0.74 CYP3A4 (0.44) MAPTALDH1A1SMN1; SMN2POLBTDP1
SCHEMBL10735723 0.73 MAPT (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10735725 0.73 MAPT (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10735726 0.73 MAPT (0.50) MAPTNPC1RAB9AALDH1A1SMN1; SMN2

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-0611759-A1 Pyrimidinyloxy/triazinyloxy alkanol derivatives and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-08-24 EP disclosed