SCHEMBL19861724

SCHEMBL19861724

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 2/20 0.41
CYP3A4 P08684 3/20 0.39
TSHR P16473 3/20 0.39
CA2 P00918 4/20 0.38
DNM1 Q05193 2/20 0.35
FDPS P14324 1/20 0.34
CES2 O00748 1/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR3 Q9UBY5 1/20 0.34
CA1 P00915 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
FAAH O00519 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL20053250 0.93 LMNA (0.50) ALDH1A1LMNAFDPSCES2LPAR1
SCHEMBL18639289 0.91 LMNA (0.54) LMNAFDPSCES2LPAR1LPAR3
SCHEMBL19861785 0.91 ALDH1A1 (0.54) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL22930060 0.91 LMNA (0.54) LMNAFDPSCES2LPAR1LPAR3
SCHEMBL26976480 0.89 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL18639292 0.83 LMNA (0.50) LMNATSHRDNM1FDPSCES2
SCHEMBL20376061 0.83 ACE2 (0.41) ALDH1A1LMNACYP3A4TSHRCA2
SCHEMBL1678825 0.81 FDPS (0.37) CA2FDPSCES2LPAR1LPAR3
SCHEMBL4292096 0.81 ALDH1A1 (0.33) ALDH1A1TSHRCA2DNM1FDPS
SCHEMBL26976460 0.79 ALDH1A1 (0.32) ALDH1A1CA2DNM1FDPSCES2

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-9890178-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2018-02-13 US disclosed