SCHEMBL9704230

SCHEMBL9704230

CCC(=O)NN.CCCCc1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ESR1 P03372 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
HSD17B10 Q99714 2/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 1/20 0.56
SHBG P04278 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
HSPD1 P10809 1/20 0.56
ADRB3 P13945 1/20 0.56
HTR2C P28335 1/20 0.56
HSPE1 P61604 1/20 0.56
HIF1A Q16665 1/20 0.56
TST Q16762 1/20 0.56

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
Propionamide SCHEMBL28788189 0.83 ESR1 (0.63) ALDH1A1ESR1ADRA2AADORA3TACR2
Propionic Acid SCHEMBL8222397 0.81 ALDH1A1 (0.67) ALDH1A1ESR1ADRA2AADORA3TACR2
Acetone SCHEMBL10420784 0.81 ESR1 (0.70) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL20233 0.80 ESR1 (0.83) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL4112338 0.80 TRPV1 (0.59) ALDH1A1ESR1KDM4ECYP3A4HIF1A
SCHEMBL28127491 0.80 ESR1 (0.63) ALDH1A1ESR1ADRA2AADORA3TACR2
Formaldehyde SCHEMBL305916 0.79 ESR1 (0.73) ALDH1A1ESR1ADRA2AADORA3TACR2
Butane SCHEMBL11811032 0.78 ESR1 (0.79) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL28796641 0.78 PTGS2 (0.87) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL21632769 0.78 ESR1 (0.79) ALDH1A1ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105401250-B There is antioxidant and the response type stabilizer of anti-yellowing agent double action for spandex 天津利安隆新材料股份有限公司 2018-01-30 CN claimed
WO-1992008747-A1 NOVEL ANTIOXIDANT AND LIGHT STABILIZER BOUND OLIGOMER SYSTEMS FOR RADIATION CURED MATERIALS DSM N.V. (NL) 1992-05-29 WO claimed
WO-1992008747-A1 NOVEL ANTIOXIDANT AND LIGHT STABILIZER BOUND OLIGOMER SYSTEMS FOR RADIATION CURED MATERIALS DSM N.V. (NL) 1992-05-29 WO disclosed