SCHEMBL5576405

SCHEMBL5576405

CCC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
MAPT P10636 2/20 0.67
MEN1 O00255 2/20 0.67
CYP3A4 P08684 2/20 0.67
ALOX15 P16050 2/20 0.67
ALDH1A1 P00352 2/20 0.67
UGT1A1 P22309 1/20 0.67
SQLE Q14534 7/20 0.64
KDM4E B2RXH2 1/20 0.59
FNTA P49354 1/20 0.53
FNTB P49356 1/20 0.53

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
SCHEMBL19274201 1.00 KMT2A (0.76) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL27099651 1.00 KMT2A (0.76) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10014861 0.97 KMT2A (0.71) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL10777183 0.97 KMT2A (0.71) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL2016647 0.97 KMT2A (0.71) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL23802597 0.87 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL890053 0.87 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL8013144 0.87 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
Squalene SCHEMBL21823197 0.87 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15
SCHEMBL21639794 0.87 KMT2A (1.00) KMT2AMAPTMEN1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110268066-A Enzymatic reaction medium containing surfactant 诺华股份有限公司 2019-09-20 CN claimed
CN-110268066-A Enzymatic reaction medium containing surfactant 诺华股份有限公司 2019-09-20 CN disclosed
EP-3060542-A1 PREPARATION OF HOMOALLYLIC COMPOUNDS BY REACTION OF CYCLOPROPYLVINYL PRECURSORS WITH BRONSTEDT ACIDS Givaudan SA (CH) 2016-08-31 EP disclosed
WO-2015059293-A1 PREPARATION OF HOMOALLYLIC COMPOUNDS BY REACTION OF CYCLOPROPYLVINYL PRECURSORS WITH BRONSTEDT ACIDS GIVAUDAN SA (CH) 2015-04-30 WO disclosed
US-20070020743-A1 Undecaprenyl pyrophosphate synthase (upps)enzyme and methods of use SMITHKLINE BEECHAM CORPORATION 2007-01-25 US disclosed
EP-1527167-A4 UNDECAPRENYL PYROPHOSPHATE SYNTHASE (UPPS) ENZYME AND METHODS OF USE SMITHKLINE BEECHAM CORP (US) 2005-12-21 EP disclosed
EP-1527167-A2 UNDECAPRENYL PYROPHOSPHATE SYNTHASE (UPPS) ENZYME AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2005-05-04 EP disclosed
WO-2003048733-A2 UNDECAPRENYL PYROPHOSPHATE SYNTHASE (UPPS) ENZYME AND METHODS OF USE SMITHKLINE BEECHAM CORPORATION (US) 2003-06-12 WO disclosed
US-4668820-A Method of preparing polyprenyl compounds or mixtures thereof KURARAY CO., LTD. (JP) 1987-05-26 US disclosed
EP-0094666-B1 METHOD OF PREPARING POLYPRENYL COMPOUNDS OR MIXTURES THEREOF KURARAY CO., LTD. (JP) 1986-03-12 EP disclosed
EP-0095133-B1 PREPARATION OF POLYPRENYL COMPOUNDS OR MIXTURES THEREOF KURARAY CO., LTD. (JP) 1985-08-21 EP disclosed
EP-0107857-A1 Process for the preparation of 8,12-epoxy-13,14,15,16-tetranor labdane Consortium für elektrochemische Industrie GmbH (DE) 1984-05-09 EP disclosed
EP-0095133-A1 Preparation of polyprenyl compounds or mixtures thereof KURARAY CO., LTD. (JP) 1983-11-30 EP disclosed
EP-0094666-A1 Method of preparing polyprenyl compounds or mixtures thereof KURARAY CO., LTD. (JP) 1983-11-23 EP disclosed