SCHEMBL21143002

SCHEMBL21143002

C=CC(=O)OCCOc1ccc(Sc2nc3ccccc3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 4/20 0.47
HSPD1 P10809 2/20 0.45
HSPE1 P61604 2/20 0.45
POLB P06746 3/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALOX5 P09917 2/20 0.41
CTSD P07339 1/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 1/20 0.40
GLO1 Q04760 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL17795865 0.85 THRB (0.45) THRBSMN1; SMN2MAPTPOLBAPEX1
SCHEMBL4756672 0.79 ALDH1A1 (0.59) SMN1; SMN2MAPTPOLBAPEX1RECQL
SCHEMBL17795871 0.78 ALDH1A1 (0.46) SMN1; SMN2MAPTPOLBAPEX1RECQL
SCHEMBL14173241 0.78 THRB (0.71) THRBSMN1; SMN2MAPTRECQLHPGD
SCHEMBL3102899 0.78 THRB (0.71) THRBSMN1; SMN2MAPTRECQLHPGD
SCHEMBL25123494 0.78 ALDH1A1 (0.54) SMN1; SMN2MAPTPOLBAPEX1RECQL
SCHEMBL25123486 0.78 ALDH1A1 (0.54) SMN1; SMN2MAPTPOLBAPEX1RECQL
SCHEMBL17796020 0.77 ALDH1A1 (0.41) THRBSMN1; SMN2MAPTPOLBAPEX1
SCHEMBL25713588 0.74 THRB (0.49) THRBSMN1; SMN2MAPTPOLBHPGD
SCHEMBL25118381 0.74 THRB (0.65) THRBSMN1; SMN2MAPTRECQLHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10611869-B2 Curable composition and cured product AGC Inc. (JP) 2020-04-07 US claimed
US-20190218325-A1 CURABLE COMPOSITION AND CURED PRODUCT AGC Inc. (JP) 2019-07-18 US claimed
US-10611869-B2 Curable composition and cured product AGC Inc. (JP) 2020-04-07 US disclosed
US-20190218325-A1 CURABLE COMPOSITION AND CURED PRODUCT AGC Inc. (JP) 2019-07-18 US disclosed