SCHEMBL6049430

SCHEMBL6049430

COC(=O)C(C)(C)C(O[Si](C)(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP26A1 O43174 5/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ SRC P12931 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ELANE P08246 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL11076796 0.85 L3MBTL1 (0.39) KMT2ACYP3A4CYP1A2CYP2D6SRC
SCHEMBL16369994 0.83 KCNN4 (0.47) KCNN4KMT2ACYP26A1CYP3A4CYP1A2
SCHEMBL16503515 0.83 CYP26A1 (0.47) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL11074581 0.80 CHRM1 (0.37) KMT2ACYP3A4CYP1A2CYP2D6ALDH1A1
SCHEMBL13190170 0.80 CNR1 (0.37) CYP26A1CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL13190171 0.79 CYP26A1 (0.37) KMT2ACYP26A1ALDH1A1
SCHEMBL14826292 0.76 KCNN4 (0.50) KCNN4KMT2ACYP26A1CYP3A4CYP1A2
SCHEMBL10905859 0.76 KCNN4 (0.50) KCNN4KMT2ACYP26A1CYP3A4CYP1A2
SCHEMBL16503511 0.75 CYP26A1 (0.37) KMT2ACYP26A1CYP3A4CYP1A2CYP2D6
SCHEMBL8088487 0.73 KCNN4 (0.47) KCNN4KMT2ACYP26A1CYP3A4CYP1A2

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-7084088-B2 Lewis acid catalyst composition THE NOGUCHI INSTITUTE (JP) 2006-08-01 — — US disclosed
US-20040242411-A1 Lewis acid catalyst composition NOGUCHI INSTITUTE, THE (JP) 2004-12-02 — — US disclosed
US-6436866-B1 EASILY RECOVERED AND RECYCLED; HIGHLY ACTIVE RARE EARTH SALT OF A PERFLUOROALKYLSULFONYL COMPOUND WITH A PERFLUORINATED ALIPHATIC OR ALICYCLIC HYDROCARBON, AND A NONFLUORINATED HYDROCARBON OR A HALOGENATED HYDROCARBON AS A SOLVENT ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-08-20 — — US disclosed
US-6121475-A Preparation of optically active β-hydroxyester derivatives and platinum-containing catalyst UBE INDUSTRIES, LTD. (JP) 2000-09-19 — — US disclosed
US-5602267-A Organometallic catalysts for epoxidizing prochiral olefins and a new class of amid-salicylidene ligands HOECHST CELANESE (US) 1997-02-11 — — US disclosed
US-5508458-A USEFUL IN EPOXIDATION OF OLEFINS HOECHST CELANESE CORPORATION (US) 1996-04-16 — — US disclosed
US-5491266-A REACTING CHIRAL COMPOUND IN PRESENCE OF OPTICALLY ACTIVE METAL-LIGAND COMPLEX UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-02-13 — — US disclosed
EP-0600020-B1 ASYMMETRIC SYNTHESES UNION CARBIDE CHEM PLASTIC (US) 1996-01-31 — — EP disclosed
US-5360938-A Metal ligand complex phosphite hydrogenation catalysts UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1994-11-01 — — US disclosed
US-4448980-A BY CARBONYLATION WITH BIFLUORIDE CATALYSTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-05-15 — — US disclosed
EP-0008421-B1 BENZODIAZEPINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1984-02-08 — — EP disclosed
EP-0045452-A2 Benzodiazepine derivatives, intermediates and their preparation, and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-02-10 — — EP disclosed
EP-0008421-A2 Benzodiazepine derivatives, process for their preparation and pharmaceutical compositions containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1980-03-05 — — EP disclosed
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