SCHEMBL8838992

SCHEMBL8838992

C[Si](C)(C)CCOCO[C@H]1[C@@H]2O[C@H](c3ccccc3)OC[C@H]2N(C(=O)OCc2ccccc2)C[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
HTR2C P28335 1/20 0.35
KLK7 P49862 2/20 0.35
KLK5 Q9Y337 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
PREP P48147 2/20 0.34
AGTR2 P50052 2/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1I Q9P0X4 1/20 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
SCHEMBL8839095 0.91 PREP (0.38) L3MBTL1HTR2CKLK7KLK5PDK1
SCHEMBL8838990 0.84 L3MBTL1 (0.44) L3MBTL1HTR2CKLK7KLK5PREP
SCHEMBL8839067 0.84 L3MBTL1 (0.36) L3MBTL1HTR2CKLK7KLK5PREP
SCHEMBL8838999 0.83 L3MBTL1 (0.37) L3MBTL1HTR2CKLK7KLK5PREP
SCHEMBL8839088 0.83 L3MBTL1 (0.37) L3MBTL1HTR2CKLK7KLK5PREP
SCHEMBL9077430 0.81 PREP (0.41) L3MBTL1HTR2CKLK7KLK5PREP
SCHEMBL8796249 0.81 PREP (0.41) L3MBTL1HTR2CKLK7KLK5PREP
SCHEMBL9079150 0.80 KLK7 (0.38) L3MBTL1HTR2CKLK7KLK5PREP
SCHEMBL9010721 0.79 KLK7 (0.36) L3MBTL1KLK7KLK5PREPAGTR2
SCHEMBL9230633 0.76 L3MBTL1 (0.42) L3MBTL1HTR2CKLK7KLK5PREP

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684138-A Asymmetrical reactive dyes containing two triazinyl radicals which are bridged via an aliphatic bridge member CIBA SPECIALTY CHEMICALS CORPORATION (US) 1997-11-04 US disclosed
US-5639882-A CHEMICAL INTERMEDIATES FOR FORMING VIRICIDES INHIBITING LENTIVIRUSES G. D. SEARLE & CO. (US) 1997-06-17 US disclosed
US-5637707-A STEREOSELECTIVELY ADDING ORGANONETALLIC REAGENT BY NUCLEOPHILIC ADDITION TO KETONE COMPOUND G. D. SEARLE & CO. (US) 1997-06-10 US disclosed
US-5601621-A PRETREATING WITH SODIUM HYDROXIDE AND 2-OXO-1,3-OXAZOLIDINE HOECHST AKTIENGESELLSCHAFT (DE) 1997-02-11 US disclosed
US-5552532-A Reactive dyes, processes for their preparation and their use CIBA-GEIGY CORPORATION (US) 1996-09-03 US disclosed
EP-0566556-B1 2-Substituted tertiary carbinol derivatives of 1,5-iminosugars as antiviral compounds SEARLE & CO (US) 1996-07-03 EP disclosed
US-5530132-A VIRICIDES, HIV VIRUS G. D. SEARLE & CO. (US) 1996-06-25 US disclosed
US-5523406-A STEREOSPECIFIC ALKYLATION BY NUCLEOPHILIC ADDITION AT C-2 WITH A GRIGNARD REAGENT G. D. SEARLE & CO. (US) 1996-06-04 US disclosed
US-5350854-A AIDS treatment G. D. SEARLE & CO. (US) 1994-09-27 US disclosed
US-5258518-A Antiviral agents, anti-HIV activity G. D. SEARLE & CO. (US) 1993-11-02 US disclosed
EP-0566556-A1 2-Substituted tertiary carbinol derivatives of 1,5-iminosugars as antiviral compounds G.D. Searle & Co. (US) 1993-10-20 EP disclosed
US-4693727-A Process for dyeing synthetic polyamide materials with fibre-reactive anthraquinone dyes CIBA-GEIGY CORPORATION (US) 1987-09-15 US disclosed
US-4652269-A Process for the continuous trichromatic dyeing of synthetic polyamide materials: including a blue anthraquinone reactive dye CIBA-GEIGY CORPORATION (US) 1987-03-24 US disclosed