SCHEMBL7866908

SCHEMBL7866908

COC(CC(=O)Nc1ccc(OCCNC(C)C)cc1)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MAPK1 P28482 1/20 0.50
EPHX2 P34913 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44

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
SCHEMBL7869922 0.83 MAPT (0.56) MAPTEPHX2ALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL7868840 0.82 MAPT (0.55) MAPTEPHX2ALDH1A1MEN1CYP1A2
SCHEMBL7873618 0.81 MEN1 (0.64) MAPTEPHX2ALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL7866916 0.80 MEN1 (0.63) MAPTEPHX2ALDH1A1MEN1CYP1A2
SCHEMBL7866953 0.74 SMN1; SMN2 (0.67) MAPTMAPK1ALDH1A1NPC1RAB9A
SCHEMBL7873989 0.73 SMN1; SMN2 (0.47) MAPTEPHX2ALDH1A1MEN1CYP1A2
Hydrochloric Acid SCHEMBL7862199 0.73 SMN1; SMN2 (0.66) MAPTMAPK1ALDH1A1NPC1RAB9A
SCHEMBL24619611 0.73 HPGD (0.63) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27258900 0.73 HTT (0.70) MAPTMAPK1EPHX2ALDH1A1MEN1
SCHEMBL13996938 0.72 KDM4E (0.56) ALDH1A1NPC1KDM4ETDP1ADRB2

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
US-6300368-B1 FOR THERAPY OF ATRIAL ARRHYTHMIA MITSUI CHEMICALS, INC. (JP) 2001-10-09 US disclosed