SCHEMBL17634992

SCHEMBL17634992

O=C(CCCC(=O)OCc1c(F)c(F)c(F)c(F)c1F)OCc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP12 P39900 1/20 0.40
TSHR P16473 2/20 0.36
DGKA P23743 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GSTP1 P09211 1/20 0.32
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31

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
SCHEMBL17367634 0.88 DGKA (0.46) MEN1KMT2ATSHRDGKATDP1
SCHEMBL17367969 0.86 MMP1 (0.36) MEN1KMT2AMMP1MMP2MMP9
SCHEMBL9803080 0.85 DGKA (0.56) MEN1KMT2ATSHRDGKAALDH1A1
SCHEMBL12758757 0.83 MMP1 (0.38) MMP1MMP2MMP9MMP12
SCHEMBL12143556 0.83 MMP1 (0.38) MMP1MMP2MMP9MMP12TDP1
SCHEMBL27275391 0.80 DGKA (0.42) MEN1KMT2ATSHRDGKACYP1A2
SCHEMBL27276849 0.80 DGKA (0.42) MEN1KMT2ATSHRDGKACYP1A2
SCHEMBL14462589 0.78 MMP1 (0.40) MEN1KMT2AMMP1MMP2MMP9
Hydrochloric Acid SCHEMBL4483692 0.77 KDM4E (0.47) MMP1MMP2MMP9MMP12LMNA
SCHEMBL3691321 0.77 MMP1 (0.44) MEN1KMT2AMMP1MMP2MMP9

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-9297252-B2 Use of long chain amines and difunctional compounds as tracers BAKER HUGHES INCORPORATED (US) 2016-03-29 US disclosed