SCHEMBL7751004

SCHEMBL7751004

C=CC(=O)NCCC(O)CC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.52
ZDHHC2 Q9UIJ5 1/20 0.52
TSHR P16473 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.35
TGM2 P21980 8/20 0.33
USP2 O75604 1/20 0.33
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL29520375 0.87 ZDHHC20 (0.55) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL10661514 0.82 ZDHHC20 (0.53) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL28948518 0.82 TSHR (0.46) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL17183764 0.81 ZDHHC20 (0.52) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL16060 0.80 TSHR (0.48) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL151622 0.80 ZDHHC20 (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL20262206 0.79 TSHR (0.52) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL1561854 0.78 ZDHHC20 (0.49) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL14413830 0.78 TSHR (0.50) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1
SCHEMBL410374 0.78 ZDHHC20 (0.52) ZDHHC20ZDHHC2TSHRALDH1A1MAPK1

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-1077392-A1 Photosensitive lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 2001-02-21 EP disclosed