SCHEMBL8765729

SCHEMBL8765729

NCCCCOc1ccccc1[O]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HTR1B P28222 2/20 0.52
L3MBTL1 Q9Y468 4/20 0.47
SSTR2 P30874 1/20 0.45
SSTR4 P31391 1/20 0.45
TP53 P04637 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
PTK2B Q14289 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
CHRM2 P08172 1/20 0.41

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
SCHEMBL843196 0.82 MAPT (0.56) L3MBTL1TP53MAPK1CYP1A2CYP2C9
SCHEMBL3658983 0.81 ALDH1A1 (0.42) KDM4EHTR1BL3MBTL1RAB9ATDP1
SCHEMBL8764972 0.80 KDM4E (0.43) KDM4EHTR1BL3MBTL1TP53MAPK1
SCHEMBL991008 0.80 LMNA (0.58) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2679382 0.80 LMNA (0.58) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL991234 0.80 LMNA (0.58) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2679806 0.80 LMNA (0.58) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL2679170 0.80 LMNA (0.58) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL991604 0.80 LMNA (0.58) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL57744 0.80 LMNA (0.58) L3MBTL1CYP1A2CYP2C9CYP2C19MAPT

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-0778267-A1 SULFONAMIDE DERIVATIVES AND INSECTICIDE, MITICIDE AND NEMATICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-06-11 EP disclosed