SCHEMBL13804370

SCHEMBL13804370

CCCN(CC)c1ccc(C2(c3ccc(N(CC)CCO)cc3)CCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MAPT P10636 3/20 0.40
PSMD14 O00487 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
ADORA3 P0DMS8 1/20 0.37
ALDH1A1 P00352 7/20 0.36
LMNA P02545 2/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 4/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ESRRG P62508 1/20 0.34
RECQL P46063 3/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL12601928 0.95 ESR1 (0.43) KMT2AMAPTPSMD14RAB9ANPC1
SCHEMBL9718499 0.94 ESR1 (0.44) KMT2AMAPTPSMD14RAB9ANPC1
SCHEMBL11101405 0.84 ALDH1A1 (0.46) KMT2AMAPTESR1ESR2ADORA3
SCHEMBL13804452 0.82 ALDH1A1 (0.35) KMT2AMAPTPSMD14RAB9AESR1
SCHEMBL9718482 0.81 ALDH1A1 (0.48) KMT2AMAPTPSMD14RAB9AESR1
SCHEMBL8038944 0.77 ALDH1A1 (0.50) KMT2AMAPTPSMD14RAB9ANPC1
Hydrochloric Acid SCHEMBL8040784 0.75 KMT2A (0.49) KMT2AMAPTPSMD14RAB9ANPC1
SCHEMBL8039657 0.75 ALDH1A1 (0.54) KMT2AMAPTPSMD14RAB9ANPC1
Hydrochloric Acid SCHEMBL8042521 0.73 ALDH1A1 (0.52) KMT2AMAPTPSMD14RAB9ANPC1
SCHEMBL15347723 0.73 ESR1 (0.41) MAPTESR1ESR2ADORA3ALDH1A1

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
WO-2009070226-A1 SOL GEL OVERCOATS INCORPORATING ZINC ANTIMONATE NANOPARTICLES EASTMAN KODAK COMPANY (US) 2009-06-04 WO disclosed