SCHEMBL22645901

SCHEMBL22645901

CCCCCCCCC(CCCCCCC)OC(=O)CCCCCCCN(CCCCCCCC(=O)OCCCCCC)CCN1CCN(C)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
DNM1 Q05193 1/20 0.41
DGKA P23743 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
TLR2 O60603 1/20 0.39
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
ENPP2 Q13822 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18641719 1.00 ALDH1A1 (0.43) ALDH1A1LMNATHRATHRBPRKCA
SCHEMBL25418208 0.97 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL25417070 0.97 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL25419620 0.97 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL24627743 0.96 ALDH1A1 (0.43) ALDH1A1LMNATHRATHRBPRKCA
SCHEMBL19138876 0.95 ALDH1A1 (0.40) ALDH1A1LMNATHRATHRBPRKCA
SCHEMBL24627705 0.95 ALDH1A1 (0.43) ALDH1A1LMNATHRATHRBPRKCA
SCHEMBL24628059 0.94 THRA (0.42) ALDH1A1LMNATHRATHRBPRKCA
SCHEMBL24627759 0.93 ALDH1A1 (0.41) ALDH1A1LMNATHRATHRBPRKCA
SCHEMBL24627551 0.93 THRA (0.41) ALDH1A1LMNATHRATHRBPRKCA

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-2020227537-A1 DIFFERENTIALLY EXPRESSED IMMUNE CELL MICRORNAS FOR REGULATION OF PROTEIN EXPRESSION Modernatx, Inc (US) 2020-11-12 WO disclosed