SCHEMBL9839276

SCHEMBL9839276

CCCCCCCCCCCC(Cc1coc([Si](C)(C)C)c1)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
ZDHHC7 Q9NXF8 1/20 0.40
FOLH1 Q04609 1/20 0.40
BIRC2 Q13490 3/20 0.38
SMPD1 P17405 1/20 0.35
ABCB1 P08183 1/20 0.34
MMP2 P08253 8/20 0.33
MMP1 P03956 3/20 0.33
MMP3 P08254 3/20 0.33

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
SCHEMBL10431470 0.87 PRKCD (0.33) CA2ZDHHC7BIRC2SMPD1
SCHEMBL9838257 0.86 GRIK1 (0.41) CA2FOLH1
SCHEMBL9326185 0.80 PRKCD (0.39) CA2SMPD1
SCHEMBL10431469 0.78 PRKCD (0.32) CA2SMPD1
SCHEMBL10461192 0.78 GRIK1 (0.40) CA2
SCHEMBL9766908 0.76 ZDHHC7 (0.43) CA2CA1ZDHHC7SMPD1ABCB1
SCHEMBL17678684 0.75 BIRC2 (0.60) FOLH1BIRC2MMP2MMP1MMP3
SCHEMBL10949180 0.75 BIRC2 (0.60) FOLH1BIRC2MMP2MMP1MMP3
SCHEMBL3155045 0.73 BIRC2 (0.61) CA2CA1FOLH1BIRC2MMP2
SCHEMBL9744772 0.73 TACR3 (0.37) ZDHHC7SMPD1

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-5059611-A Treating psoriasis and modifying calcium homeostatis ALLERGAN, INC. (US) 1991-10-22 US disclosed
EP-0369812-A2 Anti-inflammatory 5-hydroxy-2-furanones ALLERGAN, INC (US) 1990-05-23 EP disclosed