SCHEMBL27520110

SCHEMBL27520110

COc1cc[c]cc1OCCCCl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 7/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 5/20 0.36
HPGD P15428 4/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
PRSS1 P07477 4/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MIF P14174 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL460078 0.93 L3MBTL1 (0.39) L3MBTL1TDP1MAPTHPGDMAPK1
SCHEMBL316261 0.86 CYP1A2 (0.41) L3MBTL1TDP1MAPTMAPK1SMN1; SMN2
SCHEMBL2806331 0.86 SMN1; SMN2 (0.40) L3MBTL1TDP1MAPTHPGDMAPK1
SCHEMBL3118111 0.86 L3MBTL1 (0.37) L3MBTL1TDP1MAPTHPGDMAPK1
SCHEMBL314353 0.84 KDM4E (0.37) L3MBTL1TDP1MAPTHPGDSMN1; SMN2
SCHEMBL182703 0.84 L3MBTL1 (0.38) L3MBTL1TDP1MAPTHPGDMAPK1
SCHEMBL7389250 0.82 KDM4E (0.42) L3MBTL1TDP1HPGDMAPK1SMN1; SMN2
SCHEMBL7390535 0.82 TUBB1 (0.44) L3MBTL1TDP1MAPTSMN1; SMN2PRSS1
SCHEMBL188489 0.81 HTR7 (0.44) SMN1; SMN2ALDH1A1CYP2C19CYP1A2
SCHEMBL159256 0.79 KDM4E (0.42) MAPTMAPK1SMN1; SMN2ALDH1A1

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
CN-1048037-A N- (aryloxyalkyl) heteroarylpiperidines and heteroarylpiperazines, their preparation and their use as pharmaceuticals HOECHST ROUSSEL PHARMA (US) 1990-12-26 CN disclosed