SCHEMBL7565878

SCHEMBL7565878

CCCCC(CC)C/C(=C/C(N)=O)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.42
CA1 P00915 3/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 4/20 0.41
CYP3A4 P08684 4/20 0.39
ATM Q13315 1/20 0.39
RECQL P46063 1/20 0.36
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL7565885 1.00 CA2 (0.42) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL669076 0.85 CA2 (0.43) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL28104224 0.82 CA2 (0.41) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL79562 0.76 ALDH1A1 (0.52) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL2250221 0.75 CA2 (0.43) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL9193145 0.75 CA2 (0.43) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL183765 0.75 CA2 (0.43) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL3673167 0.74 CA2 (0.46) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL234394 0.74 CA2 (0.46) CA2CA1ALDH1A1TDP1TSHR
SCHEMBL6550732 0.74 CA2 (0.46) CA2CA1ALDH1A1TDP1TSHR

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
EP-0751177-B1 Stabilizers for high nitrile multipolymers STANDARD OIL CO (US) 2002-08-28 EP claimed