SCHEMBL16205191

SCHEMBL16205191

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MAPK1 P28482 2/20 0.56
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
TGM2 P21980 2/20 0.35
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL9297811 0.80 ALDH1A1 (0.52) ALDH1A1MAPK1TSHRTDP1ZDHHC20
SCHEMBL2319044 0.79 TSHR (0.56) ALDH1A1MAPK1TSHRTDP1ZDHHC20
SCHEMBL22490941 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1TSHRTDP1ZDHHC20
SCHEMBL7754139 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1TSHRTDP1ZDHHC20
SCHEMBL6365269 0.76 ALDH1A1 (0.73) ALDH1A1MAPK1TSHRTDP1ZDHHC20
SCHEMBL6566267 0.76 ALDH1A1 (0.52) ALDH1A1MAPK1TSHRTDP1ZDHHC20
SCHEMBL28914561 0.75 ALDH1A1 (0.42) ALDH1A1MAPK1TSHRTDP1ZDHHC20
SCHEMBL105093 0.74 ALDH1A1 (0.50) ALDH1A1MAPK1TSHRTDP1ZDHHC20
SCHEMBL12752125 0.74 ALDH1A1 (0.45) ALDH1A1MAPK1TSHRTDP1ZDHHC20
SCHEMBL20000 0.73 TSHR (1.00) ALDH1A1MAPK1TSHRTDP1ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114945560-A GPR119 agonists 卡尔优普公司 2022-08-26 CN claimed
EP-3052140-B1 NON-SELF-ADHERENT COATING MATERIALS ROCHAL IND LLC (US) 2019-05-01 EP disclosed
EP-3052140-A1 NON-SELF-ADHERENT COATING MATERIALS Rochal Industries, LLC (US) 2016-08-10 EP disclosed
WO-2015050682-A1 NON-SELF-ADHERENT COATING MATERIALS ROCHAL INDUSTRIES, LLP (US) 2015-04-09 WO disclosed
US-8877882-B1 Non-self-adherent coating materials ROCHAL INDUSTRIES LLP (US) 2014-11-04 US disclosed