SCHEMBL28589249

SCHEMBL28589249

CC(=O)OCCOC(=O)C(C)=CC#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
TSHR P16473 1/20 0.41
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36
GALR3 O60755 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL9805797 0.85 HCAR2 (0.37) ALDH1A1TSHRCHRM1SMN1; SMN2GAA
SCHEMBL23674228 0.81 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2RAB9ALMNA
SCHEMBL23674229 0.81 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2RAB9ALMNA
SCHEMBL14576672 0.80 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL5001901 0.80 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL12364286 0.80 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
SCHEMBL9576004 0.76 TSHR (0.50) ALDH1A1TSHRGAAHSD17B10THRB
SCHEMBL4887159 0.76 PTP4A3 (0.39) ALDH1A1TSHRHSD17B10
SCHEMBL2309061 0.74 ALDH1A1 (0.45) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL3512236 0.73

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-110229549-B High-temperature-resistant insulating composition, insulating coating, and preparation method and application thereof 全球能源互联网研究院有限公司 2021-05-18 CN disclosed