SCHEMBL9257778

SCHEMBL9257778

C=CC(=O)NC(OCCC)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
HPGD P15428 1/20 0.38
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
ACACB O00763 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TGM2 P21980 3/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MAPT P10636 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
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
SCHEMBL9000273 0.90 TSHR (0.47) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL9316238 0.90 TSHR (0.42) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL9262683 0.86 TSHR (0.45) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL9000784 0.81 TSHR (0.44) TSHRACACBALDH1A1MAPK1TDP1
SCHEMBL11159463 0.80 TSHR (0.52) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL29236235 0.80 TSHR (0.47) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL7889401 0.80 TSHR (0.51) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL451042 0.77 TSHR (0.52) TSHRZDHHC20ZDHHC2ACACBALDH1A1
SCHEMBL9257784 0.77 TSHR (0.40) TSHRHPGDZDHHC20ZDHHC2ACACB
SCHEMBL9257599 0.76 TSHR (0.44) TSHRHPGDZDHHC20ZDHHC2ACACB

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-5478688-A Liquid developer compositions with charge adjuvants of a copolymer of an alky acrylamidoglycolate alkyl ether and an alkenylester XEROX CORPORATION (US) 1995-12-26 US disclosed