SCHEMBL14229554

SCHEMBL14229554

CCCC(=O)N(c1ccc(F)c(C)c1)C(C)CC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
GFER P55789 1/20 0.33
MMP13 P45452 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
MMP14 P50281 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL14229510 0.91 MEN1 (0.34) MEN1KMT2ATP53SMN1; SMN2CYP1A2
SCHEMBL14229429 0.89 TP53 (0.36) MEN1KMT2ATP53SMN1; SMN2CYP1A2
SCHEMBL14229889 0.87 MEN1 (0.33) MEN1KMT2A
SCHEMBL14229219 0.86 MEN1 (0.35) MEN1KMT2ATP53
SCHEMBL14229265 0.85 CYP1A2 (0.39) MEN1KMT2ATP53CYP1A2CYP2C19
SCHEMBL14229031 0.85 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL14543580 0.85 TP53 (0.35) MEN1KMT2ATP53SMN1; SMN2CYP1A2
SCHEMBL14200889 0.84 HDAC8 (0.33)
SCHEMBL14228985 0.84 KMT2A (0.36) MEN1KMT2ATP53SMN1; SMN2CYP1A2
SCHEMBL14229224 0.83 LTB4R2 (0.33) MEN1KMT2ATP53SMN1; SMN2CYP1A2

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
US-7365093-B2 Endothelin antagonists ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-7208517-B1 Endothelin antagonists ABBOTT LABORTORIES (US) 2007-04-24 US disclosed