SCHEMBL6658130

SCHEMBL6658130

C=CC(=O)N(CC)CNCC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 2/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
PSMB5 P28074 3/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
LMNA P02545 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
NPC1 O15118 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL4976090 0.92 ZDHHC20 (0.39) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR
SCHEMBL14880 0.80
SCHEMBL28929157 0.78 TSHR (0.45) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL28481040 0.78 ZDHHC20 (0.43) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR
SCHEMBL7595579 0.78 ALDH1A1 (0.34) ZDHHC20ZDHHC2ALDH1A1TSHR
Acrolein SCHEMBL3847493 0.77 ZDHHC20 (0.40) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR
SCHEMBL2004205 0.76 ZDHHC20 (0.46) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR
SCHEMBL4978427 0.76 ZDHHC20 (0.40) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR
SCHEMBL16098956 0.75 ZDHHC20 (0.39) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR
SCHEMBL10757580 0.74 ZDHHC20 (0.39) ZDHHC20ZDHHC2PSMB5ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1046957-B1 Photosensitive resin composition JSR CORP (JP) 2004-07-28 EP disclosed
US-6280905-B1 LIGHT SENSITIVE ELEMENT WITH COPOLYMER OF ALAPHATIC CONJUGATED DIENE AND UNSATURATED AMINO COMPOUNDS JSR CORPORATION (JP) 2001-08-28 US disclosed
EP-1046957-A1 Photosensitive resin composition JSR Corporation (JP) 2000-10-25 EP disclosed