SCHEMBL8924401

SCHEMBL8924401

CC(=O)NCCOc1cc(C)ccc1C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
NPSR1 Q6W5P4 2/20 0.61
TDP1 Q9NUW8 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 2/20 0.59
NPBWR1 P48145 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MCHR1 Q99705 1/20 0.55
GAA P10253 1/20 0.55
ALOX12 P18054 1/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54

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
SCHEMBL8923685 0.81 MEN1 (0.56) KMT2AMEN1NPC1RAB9ANPSR1
SCHEMBL26156279 0.80 MTNR1A (0.68) KMT2AMEN1NPC1RAB9ANPSR1
SCHEMBL13433958 0.80 MTNR1A (0.68) NPC1RAB9ANPSR1TDP1ALDH1A1
SCHEMBL14439402 0.80 RAB9A (0.61) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL9678575 0.80 L3MBTL4 (0.57) KMT2AMEN1NPC1RAB9ANPSR1
SCHEMBL30298322 0.78 MEN1 (0.54) KMT2AMEN1NPC1RAB9ANPSR1
Hydrochloric Acid SCHEMBL9471893 0.78 L3MBTL4 (0.56) KMT2AMEN1NPC1RAB9ANPSR1
SCHEMBL28768948 0.78 ALDH1A1 (0.62) NPC1NPSR1TDP1ALDH1A1KDM4E
SCHEMBL29533804 0.77 ALDH1A1 (0.61) KMT2AMEN1NPC1RAB9ATDP1
SCHEMBL32668239 0.76 ALDH1A1 (0.64) KMT2AMEN1NPC1RAB9ANPSR1

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