SCHEMBL3740401

SCHEMBL3740401

C=C(C)N(C(=C)C)C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.37
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.31
THPO P40225 1/20 0.31
FFAR3 O14843 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 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
Ethylene SCHEMBL8444341 0.77 LMNA (0.39) TDP1HSD17B10LMNAALDH1A1TSHR
SCHEMBL867771 0.76 LMNA (0.46) TDP1LMNAALDH1A1TSHRTHPO
SCHEMBL1705614 0.76 ALDH1A1 (0.33) TDP1HSD17B10ALDH1A1TSHR
SCHEMBL3846286 0.76 FFAR3 (0.38) TDP1HSD17B10LMNAALDH1A1FFAR3
SCHEMBL8362093 0.73 TDP1 (0.40) TDP1HSD17B10ALDH1A1
SCHEMBL372647 0.73 TDP1 (0.40) TDP1HSD17B10ALDH1A1
SCHEMBL8102866 0.72 LMNA (0.42) TDP1LMNAALDH1A1TSHRTHPO
Hydrochloric Acid SCHEMBL868414 0.72 LMNA (0.42) TDP1LMNAALDH1A1TSHRTHPO
Water SCHEMBL31646391 0.72 LMNA (0.42) TDP1LMNAALDH1A1TSHRTHPO
Hydrochloric Acid SCHEMBL362711 0.72 LMNA (0.42) TDP1LMNAALDH1A1TSHRTHPO

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-113563245-A Substituted pyrrolidine compounds and application thereof in medicines 广东东阳光药业有限公司 2021-10-29 CN disclosed
US-20100280047-A1 SALTS OF ACTIVE INGREDIENTS WITH POLYMERIC COUNTER-IONS BASF SE (DE) 2010-11-04 US disclosed