SCHEMBL7921364

SCHEMBL7921364

CCCCC(ONCc1cc(F)cc(F)c1)c1ccc(C(=O)OC)c(-c2ccccc2C)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
TLR8 Q9NR97 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
CTSB P07858 1/20 0.31
BACE1 P56817 1/20 0.31
BDKRB1 P46663 1/20 0.31
FAAH O00519 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL7908229 0.92 PTPN11 (0.35) FNTAFNTBLTB4R2FAAH
SCHEMBL7918553 0.76 SLC6A4 (0.41) SLC6A4SLC6A3FNTAFNTBALDH1A1
SCHEMBL7871095 0.74 LTB4R2 (0.38) LTB4R2FAAH
SCHEMBL7907018 0.71 FNTA (0.41) FNTAFNTB
SCHEMBL7904963 0.71 SLC6A4 (0.37) SLC6A4SLC6A3FNTAFNTBLTB4R2
SCHEMBL7921366 0.70 LTB4R2 (0.38) SLC6A4SLC6A3FNTAFNTBLTB4R2
SCHEMBL6627724 0.69 HTR1A (0.51) FNTAFNTBLTB4R2BDKRB1
SCHEMBL7867462 0.67 FNTA (0.39) FNTAFNTB
SCHEMBL10193055 0.66 LTB4R2 (0.39) LTB4R2BDKRB1
SCHEMBL7867498 0.66 LTB4R2 (0.36) LTB4R2FAAH

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-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed