SCHEMBL8664778

SCHEMBL8664778

C=CC(=O)NC(O)CNCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
ACACB O00763 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 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
SCHEMBL108995 0.79
SCHEMBL1065203 0.79 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL1944726 0.78 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL399092 0.76 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL6535870 0.73 ZDHHC20 (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL6209915 0.73
SCHEMBL28049835 0.72 KDM4E (0.38) TSHRALDH1A1KDM4E
SCHEMBL2437345 0.72 TSHR (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL13879266 0.72 ZDHHC20 (0.50) TSHRMAPK1ZDHHC20ZDHHC2
SCHEMBL20613909 0.72 TSHR (0.41) TSHRALDH1A1MAPK1TDP1ACACB

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-5726267-A POLYETHER-ACRYLIC AMIDE COPOLYMERS, BINDERS FOR CERAMICS, LOW VISCOSITY NALCO CHEMICAL COMPANY (US) 1998-03-10 US disclosed