SCHEMBL9839348

SCHEMBL9839348

CCCCCCCCCCCCNC(=O)CCc1coc([Si](CC)(CC)CC)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
CASP2 P42575 1/20 0.47
NAAA Q02083 1/20 0.44
PYGL P06737 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR2 P34972 1/20 0.41
FAAH O00519 1/20 0.40

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
SCHEMBL9326261 0.83 MAPT (0.40) HPGDTRPV1MEN1MAPTKMT2A
SCHEMBL9325277 0.82 EPHX2 (0.53) HPGDTRPV1CNR2FAAH
SCHEMBL11367962 0.75 HPGD (0.82) HPGDCASP2NAAAPYGLTRPV1
SCHEMBL13287459 0.72 HPGD (0.97) HPGDTRPV1
SCHEMBL5933901 0.72 HPGD (0.97) HPGDTRPV1
SCHEMBL7888252 0.71 HPGD (0.73) HPGDCASP2NAAAPYGLTRPV1
SCHEMBL7201453 0.71 HPGD (0.73) HPGDCASP2NAAAPYGLTRPV1
SCHEMBL7197012 0.71 HPGD (0.73) HPGDCASP2NAAAPYGLTRPV1
SCHEMBL8387272 0.71 HPGD (0.73) HPGDCASP2NAAAPYGLTRPV1
SCHEMBL9345367 0.70 TRPV1 (0.80) HPGDTRPV1HSD17B10MEN1MAPT

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