SCHEMBL8465177

SCHEMBL8465177

CC(=O)SC(C)CCCc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.41
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.37
S1PR2 O95136 2/20 0.35
S1PR1 P21453 2/20 0.35
ITGB1 P05556 1/20 0.35
ITGA5 P08648 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
MAOA P21397 1/20 0.35
HSD17B10 Q99714 1/20 0.35
S1PR3 Q99500 1/20 0.35
ESRRG P62508 1/20 0.35
SPHK1 Q9NYA1 4/20 0.35
SPHK2 Q9NRA0 1/20 0.35

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
SCHEMBL8467310 0.84 KMT2A (0.54) MEN1HPGDKMT2ATSHR
SCHEMBL8465173 0.83 MAOB (0.40) MAOBGFERTSHRS1PR2S1PR1
SCHEMBL8166284 0.77 S1PR1 (0.38) MAOBS1PR2S1PR1S1PR3
SCHEMBL10636838 0.76 MAOB (0.48) MAOBGFERITGB1ITGA5MAOA
SCHEMBL7056724 0.74 MAOB (0.50) MAOBGFERTSHRMAOA
SCHEMBL11244317 0.74 GFER (0.54) MAOBGFERTSHRGRIN2DGRIN2A
SCHEMBL7188715 0.73 KMT2A (0.56) MEN1HPGDKMT2ATSHR
SCHEMBL9472755 0.73 MAOB (0.50) MAOBGFERMAOAHSD17B10ESRRG
SCHEMBL3544544 0.73 MAOB (0.53) MAOBGFERS1PR2S1PR1MAOA
SCHEMBL19674075 0.73 GFER (0.48) MAOBGFERTSHRITGB1ITGA5

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-5869471-A Methods for the treatment of arthritis using phosphonates and NSAIDS THE PROCTOR & GAMBLE COMPANY (US) 1999-02-09 US disclosed
US-5824661-A TREATMENT OF OSTEOPOROSIS, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS THE PROCTER & GAMBLE COMPANY (US) 1998-10-20 US disclosed