SCHEMBL11344985

SCHEMBL11344985

CCCCOC(CO)=C(C)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ATM Q13315 1/20 0.42
TSHR P16473 6/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HCAR2 Q8TDS4 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4D Q08499 1/20 0.38
NAAA Q02083 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL1898273 0.80 NAAA (0.53) ALDH1A1TSHRRAB9AMAPTNPSR1
SCHEMBL1898277 0.80 NAAA (0.53) ALDH1A1TSHRRAB9AMAPTNPSR1
SCHEMBL454526 0.79 ALDH1A1 (0.56) ALDH1A1ATMTSHRRAB9AHPGD
SCHEMBL7762738 0.79 ALDH1A1 (0.56) ALDH1A1ATMTSHRRAB9AHPGD
SCHEMBL11340332 0.73 TSHR (0.44) ALDH1A1TSHRRAB9ATDP1SMN1; SMN2
SCHEMBL4051381 0.73 TSHR (0.48) ALDH1A1ATMTSHRRAB9AMAPT
SCHEMBL11340328 0.73 TSHR (0.44) ALDH1A1TSHRRAB9ATDP1SMN1; SMN2
SCHEMBL9353687 0.72 NAAA (0.52) ALDH1A1TSHRRAB9AMAPTNPSR1
SCHEMBL7776369 0.72 NAAA (0.52) ALDH1A1TSHRRAB9AMAPTNPSR1
SCHEMBL9353868 0.72 NAAA (0.52) ALDH1A1TSHRRAB9AMAPTNPSR1

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-4305859-A THERMOSETTING ENAMELS CANADIAN INDUSTRIES LIMITED (CA) 1981-12-15 US claimed