SCHEMBL7866971

SCHEMBL7866971

COCCC(=O)Nc1cc(C)c(OCCNC(C)C)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
PLAU P00749 2/20 0.42
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
MCL1 Q07820 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MAP4K4 O95819 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36

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
Hydrochloric Acid SCHEMBL7866984 0.99 ALDH1A1 (0.44) ALDH1A1PLAUKDM4EPOLBTDP1
SCHEMBL7866950 0.84 LMNA (0.48) ALDH1A1KDM4EPOLBKMT2AMEN1
Hydrochloric Acid SCHEMBL7874134 0.83 LMNA (0.47) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL7869922 0.80 MAPT (0.56) ALDH1A1KDM4EKMT2AMEN1RAB9A
Hydrochloric Acid SCHEMBL7868840 0.79 MAPT (0.55) ALDH1A1KDM4EKMT2AMEN1RAB9A
SCHEMBL7862182 0.77 NPC1 (0.46) ALDH1A1KDM4EPOLBTDP1KMT2A
SCHEMBL8003660 0.77 NPSR1 (0.50) LMNARAB9A
Hydrochloric Acid SCHEMBL7874098 0.77 SMN1; SMN2 (0.47) ALDH1A1PLAULMNA
Hydrochloric Acid SCHEMBL7868488 0.75 PLAU (0.45) ALDH1A1PLAUKDM4EPOLBTDP1
SCHEMBL7870712 0.73 BCAT2 (0.51) ALDH1A1PLAUKDM4EPOLBKMT2A

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-6300368-B1 FOR THERAPY OF ATRIAL ARRHYTHMIA MITSUI CHEMICALS, INC. (JP) 2001-10-09 US disclosed
EP-0968999-A1 Anilide derivatives and antiarrhythmic agents containing the same Mitsui Chemicals, Inc. (JP) 2000-01-05 EP disclosed