SCHEMBL8079400

SCHEMBL8079400

C=CC(C)(O)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 1.00
MEN1 O00255 1/20 1.00
CYP3A4 P08684 1/20 1.00
KMT2A Q03164 1/20 1.00
LMNA P02545 1/20 0.48
PTPN1 P18031 3/20 0.44
PTPN2 P17706 1/20 0.44
CDC25B P30305 1/20 0.44
BLM P54132 1/20 0.41
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
SNCA P37840 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL8082488 1.00 ALOX15 (1.00) ALOX15MEN1CYP3A4KMT2ALMNA
SCHEMBL21429 1.00 ALOX15 (1.00) ALOX15MEN1CYP3A4KMT2ALMNA
SCHEMBL17239377 1.00 ALOX15 (1.00) ALOX15MEN1CYP3A4KMT2ALMNA
SCHEMBL29659795 1.00 ALOX15 (1.00) ALOX15MEN1CYP3A4KMT2ALMNA
SCHEMBL4437129 1.00 ALOX15 (1.00) ALOX15MEN1CYP3A4KMT2ALMNA
SCHEMBL15824175 1.00 ALOX15 (1.00) ALOX15MEN1CYP3A4KMT2ALMNA
Alcohol SCHEMBL11523426 0.95 ALOX15 (0.90) ALOX15MEN1CYP3A4KMT2ALMNA
SCHEMBL722489 0.92 ALOX15 (0.85) ALOX15MEN1CYP3A4KMT2ALMNA
SCHEMBL30492702 0.92 ALOX15 (0.85) ALOX15MEN1CYP3A4KMT2ALMNA
SCHEMBL28826305 0.90 ALOX15 (0.81) ALOX15MEN1CYP3A4KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0677520-B1 Process for the preparation of alpha-tocopherol derivatives, and catalyst EISAI CO LTD (JP) 2000-08-30 EP disclosed
EP-0658552-B1 Process for the preparation of alpha-tocopherol derivatives EISAI CO LTD (JP) 1999-03-31 EP disclosed
US-5610113-A REACTION OF TRIMETHYLHYDROQUINONE AND ISOPHYTOL, CONDENSATION AND CYCLIZATION, SCANDIUM SAPONITE CATALYST EISAI CO., LTD. (JP) 1997-03-11 US disclosed
US-5536852-A ETHERIFICATION, CYCLIZATION EISAI CO., LTD. (JP) 1996-07-16 US disclosed
US-5532387-A CYCLIZATION OF TRIMETHYLHYDROQUINONE AND AN ALKENYL ALCOHOL, REUSABLE CATALYST, IIIB FLUOROSULFONATE, NITRATE, SULFATE, OR FLUOROALKYLSULFONATE EISAI CO., LTD. (JP) 1996-07-02 US disclosed
EP-0677520-A1 Process for the preparation of alpha-tocopherol derivatives, and catalyst Eisai Co., Ltd. (JP) 1995-10-18 EP disclosed
EP-0658552-A1 Process for the preparation of alpha-tocopherol derivatives Eisai Co., Ltd. (JP) 1995-06-21 EP disclosed