SCHEMBL5699529

SCHEMBL5699529

OC(C1CO1)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 2/20 0.35
LMNA P02545 2/20 0.35
HRH1 P35367 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7977844 1.00 TSHR (0.35) TSHRMEN1KMT2ACYP2D6LMNA
SCHEMBL8168317 1.00 TSHR (0.35) TSHRMEN1KMT2ACYP2D6LMNA
SCHEMBL16492330 0.74 MEN1 (0.35) TSHRMEN1KMT2ACYP2D6LMNA
SCHEMBL3319727 0.74 CHRM2 (0.36) TSHRCHRM3
SCHEMBL16492329 0.74 MEN1 (0.35) TSHRMEN1KMT2ACYP2D6LMNA
SCHEMBL10808200 0.68 CHRM3 (0.33) MEN1KMT2ACYP2D6LMNAHRH1
SCHEMBL5001662 0.68 EPHX1 (0.48) TSHRCHRM3
SCHEMBL4992450 0.68 EPHX1 (0.48) TSHRCHRM3
SCHEMBL5668164 0.68 EPHX1 (0.48) TSHRCHRM3
SCHEMBL4992437 0.68 EPHX1 (0.48) TSHRCHRM3

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1341927-B1 METHOD OF PREPARING 3-¬2-{(METHYLSULFONYL)OXY}ETHOXY|-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE PPG IND OHIO INC (US) 2006-08-02 EP disclosed
EP-1341927-A1 METHOD OF PREPARING 3- 2- (METHYLSULFONYL)OXY ETHOXY]-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE PPG Industries Ohio, Inc. (US) 2003-09-10 EP disclosed
CN-1093759-C Protein kinase C inhibitors LILLY CO ELI (US) 2002-11-06 CN disclosed
WO-2002059342-A1 METHOD OF PREPARING 3-[2-{(METHYLSULFONYL)OXY}ETHOXY]-4-(TRIPHENYLMETHOXY)-1-BUTANOL, METHANE SULFONATE PPG INDUSTRIES OHIO, INC. (US) 2002-08-01 WO disclosed
US-6300106-B1 FORMING S-ISOMER OR R-ISOMER OF (3,6-DIHYDRO-2H-PYRAN-2-YL)-METHANOL VIA A PROCESS WHICH PRODUCES A RACEMIC MIXTURE OF INTERMEDIATE REACTION PRODUCTS, RESOLVING TO SELECTIVELY PRODUCE S ISOMER PPG INDUSTRIES OHIO, INC. 2001-10-09 US disclosed
US-6117861-A USEFUL IN TREATING CONDITIONS ASSOCIATED WITH DIABETES MELLITUS AND ITS COMPLICATIONS, ISCHEMIA, INFLAMMATION, CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR DISEASE, DERMATOLOGICAL DISEASE AND CANCER ELI LILLY AND COMPANY (US) 2000-09-12 US disclosed
EP-0776899-B1 Intermediates and their use to prepare N,N'-bridged bisindolylmaleimides LILLY CO ELI (US) 2000-03-29 EP disclosed
US-6015807-A NOVEL BIS-INDOLYLMALEIMIDE MACROCYCLE DERIVATIVES, PREPARING A SALT ELI LILLY AND COMPANY (US) 2000-01-18 US disclosed
EP-0657411-B1 Synthesis of bisindolylmaleimides LILLY CO ELI (US) 1999-06-09 EP disclosed
CN-1202825-A Protein kinase C inhibitor LILLY CO ELI (US) 1998-12-23 CN disclosed
US-5721272-A PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1998-02-24 US disclosed
US-5710145-A Protein kinase C inhibitor ELI LILLY AND COMPANY (US) 1998-01-20 US disclosed
US-5665877-A Synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1997-09-09 US disclosed
EP-0776899-A1 Intermediates and their use to prepare N,N'-bridged bisindolylmaleimides ELI LILLY AND COMPANY (US) 1997-06-04 EP disclosed
EP-0776895-A1 Protein kinase C inhibitor ELI LILLY AND COMPANY (US) 1997-06-04 EP disclosed
WO-1997018809-A1 PROTEIN KINASE C INHIBITOR ELI LILLY AND COMPANY (US) 1997-05-29 WO disclosed
WO-1997019080-A1 NOVEL INTERMEDIATES AND THEIR USE TO PREPARE N,N'-BRIDGED BISINDOLYLMALEIMIDES ELI LILLY AND COMPANY (US) 1997-05-29 WO disclosed
US-5614647-A Intermediates for the synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5541347-A Synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1996-07-30 US disclosed
EP-0657411-A1 Improved synthesis of bisindolylmaleimides ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed