SCHEMBL9257784

SCHEMBL9257784

C=CC(=O)NC(O)C(=O)OC.CCCOCCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.40
HPGD P15428 1/20 0.36
HSD17B10 Q99714 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 2/20 0.35
MAPT P10636 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.34
ZDHHC2 Q9UIJ5 1/20 0.34
ACACB O00763 2/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
THRB P10828 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
PLA2G2C Q5R387 1/20 0.31
TGM2 P21980 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL9000275 0.91 TSHR (0.45) TSHRHPGDHSD17B10ALDH1A1MAPT
SCHEMBL9316240 0.90 TSHR (0.40) TSHRHPGDHSD17B10ALDH1A1TP53
Ether SCHEMBL9262685 0.87 TSHR (0.42) TSHRHPGDALDH1A1ZDHHC20ZDHHC2
SCHEMBL3683866 0.86 TSHR (0.52) TSHRALDH1A1ZDHHC20ZDHHC2ACACB
SCHEMBL8326863 0.85 TSHR (0.44) TSHRHPGDHSD17B10ALDH1A1TP53
Methoxymethane SCHEMBL450335 0.84 TSHR (0.50) TSHRALDH1A1ACACBTAS1R3TAS1R1
SCHEMBL9000788 0.82 TSHR (0.41) TSHRALDH1A1MAPTACACBCA1
SCHEMBL7889404 0.81 TSHR (0.49) TSHRHPGDHSD17B10ALDH1A1MAPT
Methoxymethane SCHEMBL6651651 0.79 TSHR (0.50) TSHRHPGDHSD17B10ALDH1A1MAPT
SCHEMBL8323494 0.79 TSHR (0.41) TSHRALDH1A1ZDHHC20ZDHHC2ACACB

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