SCHEMBL29210356

SCHEMBL29210356

CC(C)COC(=O)C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
ALOX15 P16050 1/20 0.35
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.33
P2RX4 Q99571 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL298254 0.84 TSHR (0.68) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL9462068 0.81 TSHR (0.84) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL11509921 0.79 TSHR (0.62) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL27380746 0.79 TSHR (0.62) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL16048460 0.79 TSHR (0.62) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL42755 0.79
SCHEMBL4675666 0.77 TSHR (0.67) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL10010574 0.77 TSHR (0.67) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL5314281 0.77 TSHR (0.60) TSHRALDH1A1RAB9ASMN1; SMN2TDP1
SCHEMBL1373745 0.77 TSHR (0.67) TSHRALDH1A1RAB9ASMN1; SMN2TDP1

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
CN-117986215-A 2-Phenyl-4-acyl benzofurans, preparation and application thereof 中国医学科学院药物研究所 2024-05-07 CN claimed
CN-117986215-A 2-Phenyl-4-acyl benzofurans, preparation and application thereof 中国医学科学院药物研究所 2024-05-07 CN disclosed