SCHEMBL6292835

SCHEMBL6292835

CCCCN(CCCC)CCCNC(=O)/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)OC

nearest known ligand 0.88

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 5/20 0.88
ATP6AP1 Q15904 1/20 0.61
ALOX15 P16050 2/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PYGL P06737 2/20 0.33
TP53 P04637 2/20 0.33
THRB P10828 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6292833 1.00 ATP6V1B1 (0.88) ATP6V1B1ATP6AP1ALOX15MAPTKDM4E
SCHEMBL6292838 1.00 ATP6V1B1 (0.88) ATP6V1B1ATP6AP1ALOX15MAPTKDM4E
SCHEMBL8344269 0.87 ATP6V1B1 (0.77) ATP6V1B1ATP6AP1
SCHEMBL8343521 0.82 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1MAPTALDH1A1PYGL
SCHEMBL8351605 0.81 ATP6V1B1 (0.69) ATP6V1B1ATP6AP1ALOX15KDM4EALDH1A1
SCHEMBL6291679 0.79 ATP6V1B1 (0.75) ATP6V1B1ATP6AP1ALOX15KDM4EALDH1A1
SCHEMBL6291675 0.79 ATP6V1B1 (0.75) ATP6V1B1ATP6AP1ALOX15KDM4EALDH1A1
SCHEMBL6291678 0.79 ATP6V1B1 (0.75) ATP6V1B1ATP6AP1ALOX15KDM4EALDH1A1
SCHEMBL8343617 0.79 ATP6V1B1 (0.70) ATP6V1B1ATP6AP1KDM4EALDH1A1
SCHEMBL6292599 0.79 ATP6V1B1 (0.66) ATP6V1B1ATP6AP1ALDH1A1CYP1A2CYP2C19

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-6903117-B2 Indole derivatives for the treatment of osteoporosis NIKEM RESEARCH S.R.L. (IT) 2005-06-07 US disclosed