SCHEMBL28095778

SCHEMBL28095778

CCCCC(CC)CC(C)(N)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 5/20 0.43
TSHR P16473 4/20 0.43
CA2 P00918 5/20 0.41
CA1 P00915 2/20 0.41
ATM Q13315 1/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 3/20 0.37
MEN1 O00255 2/20 0.37
TP53 P04637 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
BCL2L1 Q07817 3/20 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
SCHEMBL14840263 0.85 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL29286434 0.83 LMNA (0.50) CYP3A4CA2TP53LMNACYP1A2
SCHEMBL12477841 0.83 LMNA (0.50) CYP3A4CA2TP53LMNACYP1A2
SCHEMBL8528915 0.83 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL7625931 0.83 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL8610219 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL2866922 0.79 ALDH1A1 (0.56) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL27761526 0.79 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL2866925 0.79 ALDH1A1 (0.45) ALDH1A1TDP1CYP3A4TSHRCA2
SCHEMBL19091741 0.78 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRCA2

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
CN-105885516-A Acid suppressible rheology modifier stabilized with phosphoric acid ester surfactant 罗门哈斯公司 2016-08-24 CN disclosed