SCHEMBL8922362

SCHEMBL8922362

CCOc1c(C)c(C)c(OCc2ccccc2)c(C=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NR1H4 Q96RI1 1/20 0.42
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
PTPN1 P18031 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 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
SCHEMBL1539862 0.94 MAPT (0.48) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL3268751 0.86 MAPT (0.49) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL16062042 0.81 NPC1 (0.46) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL24968079 0.79 L3MBTL1 (0.63) SMN1; SMN2MAPTL3MBTL1RAB9AMAPK1
SCHEMBL3410825 0.78 L3MBTL1 (0.44) SMN1; SMN2MAPTL3MBTL1MAPK1TDP1
SCHEMBL31643406 0.77 LMNA (0.51) MAPTRAB9AMAPK1TDP1MEN1
SCHEMBL7786636 0.75 PTPN1 (0.49) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL30301550 0.75 LMNA (0.49) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL26974234 0.75 LMNA (0.36) SMN1; SMN2LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL30958004 0.74 LMNA (0.48) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624961-A Benzylaminoethoxybenzene derivatives, production thereof and use thereof JAPAN TOBACCO INC. (JP) 1997-04-29 US disclosed
EP-0693474-A1 NOVEL BENZYLAMINOETHOXYBENZENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Toyo Boseki Kabushiki Kaisha (JP) 1996-01-24 EP disclosed