SCHEMBL13086252

SCHEMBL13086252

C=COCOCCN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KEAP1 Q14145 1/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL3387923 0.85 ALDH1A1 (0.42) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL22313539 0.81 KEAP1 (0.48) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL63418 0.79 TDP1 (0.46) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL111438 0.78 TSHR (0.58) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL10282973 0.78 TSHR (0.44) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL63614 0.76 TDP1 (0.47) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL7106263 0.76 TSHR (0.61) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL20465874 0.75 TSHR (0.49) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL664660 0.75 SMN1; SMN2 (0.48) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL16298599 0.74 ALDH1A1 (0.51) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1

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
WO-2010116063-A1 ETHYLENE COPOLYMER WITH PEG, CATIONIC AND ANIONIC UNITS, COSMETIC COMPOSITION INCLUDING SAME AND TREATMENT METHOD L'OREAL (FR) 2010-10-14 WO disclosed