SCHEMBL8664784

SCHEMBL8664784

C=CC(=O)NCC(O)NCC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
TGM2 P21980 1/20 0.33

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
SCHEMBL8977572 0.81 TSHR (0.45) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL20805929 0.79 TSHR (0.43) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1944726 0.78 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL16060 0.76 TSHR (0.48) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL17267140 0.75
SCHEMBL14901 0.75
SCHEMBL9889643 0.74 ALDH1A1 (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8632003 0.74 TSHR (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1548741 0.74
SCHEMBL17047583 0.74 TSHR (0.62) TSHRALDH1A1MAPK1TDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192817-A1 INHIBITORS OF THE MYST FAMILY OF LYSINE ACETYL TRANSFERASES Isosterix, Inc. (US) 2023-10-05 WO disclosed
US-5726267-A POLYETHER-ACRYLIC AMIDE COPOLYMERS, BINDERS FOR CERAMICS, LOW VISCOSITY NALCO CHEMICAL COMPANY (US) 1998-03-10 US disclosed