SCHEMBL7904963

SCHEMBL7904963

CCCCC(OCc1ccc(C(=O)OC)c(-c2ccccc2C)c1)c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
IDO1 P14902 1/20 0.37
LTB4R2 Q9NPC1 2/20 0.36
FNTA P49354 4/20 0.35
FNTB P49356 4/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34

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
SCHEMBL7906933 0.91 LTB4R2 (0.42) IDO1LTB4R2ADRB1ADRB3
SCHEMBL7907018 0.89 FNTA (0.41) FNTAFNTB
SCHEMBL7905224 0.85 FNTA (0.41) FNTAFNTB
SCHEMBL7906339 0.84 FNTA (0.57) FNTAFNTB
SCHEMBL7906347 0.84 FNTA (0.57) FNTAFNTB
SCHEMBL7907130 0.83 FNTA (0.57) FNTAFNTB
SCHEMBL7907128 0.83 FNTA (0.57) FNTAFNTB
SCHEMBL7910335 0.82 FNTA (0.57) FNTAFNTB
SCHEMBL7910329 0.82 FNTA (0.57) FNTAFNTB
SCHEMBL7906993 0.81 FNTA (0.40) LTB4R2FNTAFNTB

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-6204293-B1 INHIBITING POST-TRANSLATIONAL MODIFICATION OF THE ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE, PROTEIN GERANYLGERANYLTRANSFERASE, OR BOTH UNIVERSITY OF PITTSBURGH 2001-03-20 US disclosed