SCHEMBL6238007

SCHEMBL6238007

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
ALDH1A1 P00352 2/20 0.47
TSHR P16473 6/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 2/20 0.45
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HCAR2 Q8TDS4 3/20 0.43
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PDE4D Q08499 1/20 0.39
NAAA Q02083 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL11669287 0.87 ATM (0.47) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL28584257 0.87 ATM (0.47) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL14890238 0.84 ATM (0.52) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL14890236 0.84 ATM (0.52) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL125749 0.82 ATM (0.50) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL1135174 0.79 ALOX15 (0.48) ALDH1A1HPGDMAPTNPSR1HCAR2
SCHEMBL27656796 0.79 ALOX15 (0.48) ALDH1A1HPGDMAPTNPSR1HCAR2
SCHEMBL3355790 0.77 ATM (0.48) ATMALDH1A1TSHRHPGDRAB9A
SCHEMBL9238623 0.77 HCAR2 (0.50) ATMALDH1A1TSHRHPGDNPSR1
SCHEMBL27470349 0.77 HCAR2 (0.50) ATMALDH1A1TSHRHPGDNPSR1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532183-A1 CARBOXYLIC ACID-MODIFIED VINYLIC POLYMERIC COMPOSITIONS Meadwestvaco Corporation (US) 2005-05-25 EP claimed
WO-2004007578-A1 CARBOXYLIC ACID-MODIFIED VINYLIC POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION (US) 2004-01-22 WO claimed
EP-1534761-A2 ROSIN-FATTY ACID VINYLIC POLYMER COMPOSITIONS Meadwestvaco Corporation (US) 2005-06-01 EP disclosed
EP-1532183-A1 CARBOXYLIC ACID-MODIFIED VINYLIC POLYMERIC COMPOSITIONS Meadwestvaco Corporation (US) 2005-05-25 EP disclosed
WO-2004020489-A2 ROSIN-FATTY ACID VINYLIC POLYMER COMPOSITIONS MEADWESTVACO CORPORATION (US) 2004-03-11 WO disclosed
WO-2004007578-A1 CARBOXYLIC ACID-MODIFIED VINYLIC POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION (US) 2004-01-22 WO disclosed