SCHEMBL3503495

SCHEMBL3503495

CCOC(=O)CCCCCCCCCCCCCO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.59
▸ DGKA P23743 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ ALOX15 P16050 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ GAA P10253 2/20 0.52
▸ CYP4F2 P78329 3/20 0.50
▸ CYP4A11 Q02928 3/20 0.50
▸ PAM P19021 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MGAM O43451 1/20 0.48
▸ SI P14410 1/20 0.48
▸ MGAM2 Q2M2H8 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ DUSP3 P51452 1/20 0.47

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
SCHEMBL1896403 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL3503524 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL2559740 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL3503187 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL1065093 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL1265010 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL1060504 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL3288792 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL247007 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1
SCHEMBL3501621 1.00 CYP1A2 (0.59) CYP1A2DGKAALDH1A1ALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784881-A Preparation method of vegetable oil polyalcohol and application of vegetable oil polyalcohol in polyurethane anticorrosive paint 张家港市飞航科技有限公司 2023-03-14 — — CN claimed
CN-115784881-A Preparation method of vegetable oil polyalcohol and application of vegetable oil polyalcohol in polyurethane anticorrosive paint 张家港市飞航科技有限公司 2023-03-14 — — CN disclosed
CN-107636158-B Biocatalytic oxidation 赢创运营有限公司 2022-02-01 — — CN disclosed
CN-106279380-A Biocatalytic oxidation process using alkL gene product 赢创德固赛有限公司 2017-01-04 — — CN disclosed
US-20150191607-A1 Anti-fouling Paints and Coatings REACTIVE SURFACES, LTD (US) 2015-07-09 — — US disclosed
CN-102947328-A Biocatalytic oxidation process using alkL gene product EVONIK DEGUSSA GMBH 2013-02-27 — — CN disclosed
US-20100210745-A1 Molecular Healing of Polymeric Materials, Coatings, Plastics, Elastomers, Composites, Laminates, Adhesives, and Sealants by Active Enzymes REACTIVE SURFACES, LTD. (US) 2010-08-19 — — US disclosed
EP-0885886-B1 PYRIDINECARBOXAMIDE DERIVATIVES NISSHIN SEIFUN GROUP INC (JP) 2002-05-29 — — EP disclosed
US-5972943-A N-(NITRIC ACID,C14-18 ALKYL ESTER)-6-(1-(OPTIONALLY 4-SUBSTITUTED PIPERAZINYL)) PYRIDINE-3-CARBOXAMIDES; METHOD OF SYNTHESIS; ADMINISTERING TO TREAT CEREBRAL EDEMA; NO HYPOTENSIVE SIDE EFFECT NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-10-26 — — US disclosed
EP-0885886-A1 NOVEL PYRIDINECARBOXAMIDE DERIVATIVES Nisshin Flour Milling Co., Ltd. (JP) 1998-12-23 — — EP disclosed
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