SCHEMBL20053250

SCHEMBL20053250

CCCCCC(CCCCC)CCCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CES2 O00748 2/20 0.38
LPAR1 Q92633 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38
OPRM1 P35372 1/20 0.37
FAAH O00519 6/20 0.37
FDPS P14324 4/20 0.37
CES1 P23141 4/20 0.35
GPR84 Q9NQS5 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL22930060 0.98 LMNA (0.54) LMNAMAPTCES2LPAR1LPAR3
SCHEMBL18639289 0.98 LMNA (0.54) LMNAMAPTCES2LPAR1LPAR3
SCHEMBL19861724 0.93 ALDH1A1 (0.46) LMNAALDH1A1CES2LPAR1LPAR3
SCHEMBL18639292 0.91 LMNA (0.50) LMNAMAPTCES2LPAR1LPAR3
SCHEMBL19861785 0.84 ALDH1A1 (0.54) LMNAALDH1A1MEN1CYP1A2KMT2A
SCHEMBL26976480 0.83 ALDH1A1 (0.39) LMNAALDH1A1CES1MEN1CYP1A2
SCHEMBL5451661 0.79
SCHEMBL61375 0.79
Methyl Alcohol SCHEMBL6417567 0.79 LMNA (0.65) LMNAALDH1A1MAPTOPRM1FDPS
SCHEMBL20746331 0.79 LMNA (0.63) LMNAALDH1A1OPRM1FDPSGPR84

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
US-9944638-B2 Indoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND US (IE) 2018-04-17 US disclosed