SCHEMBL28837873

SCHEMBL28837873

CCC(OC(C)=O)C(=O)OC=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28287445 0.82 TSHR (0.33) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL22331675 0.78
SCHEMBL7395531 0.77 CA1 (0.41) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL6685614 0.77 ALDH1A1 (0.50) TSHRALDH1A1LMNAHSD17B10TDP1
Hydrochloric Acid SCHEMBL6867002 0.77 FOLH1 (0.34) TSHRBLM
SCHEMBL27480081 0.75 TSHR (0.37) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL27480251 0.73 ALDH1A1 (0.41) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL12314349 0.73 TSHR (0.43) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL12314325 0.73 TSHR (0.43) TSHRALDH1A1LMNAHSD17B10TDP1
SCHEMBL630817 0.72 TSHR (0.34) TSHRALDH1A1LMNAHSD17B10TDP1

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
CN-115011194-A Water-based paint and preparation method thereof 浙江鸿瑞新材料有限公司 2022-09-06 CN disclosed