SCHEMBL3776646

SCHEMBL3776646

O=C(CCC(=O)OC(=O)CCC(=O)C(=O)O)OC(=O)CCC(=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.55
OR51E2 Q9H255 2/20 0.55
MAPK1 P28482 1/20 0.55
SLC13A3 Q8WWT9 1/20 0.55
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.36
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
LMNA P02545 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30
SUCNR1 Q9BXA5 1/20 0.30

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
SCHEMBL4738804 0.92 OR51E2 (0.48) EGLN1OR51E2MAPK1SLC13A3ALDH1A1
SCHEMBL5792150 0.92 OR51E2 (0.48) EGLN1OR51E2MAPK1SLC13A3ALDH1A1
SCHEMBL29011951 0.90 OR51E2 (0.46) EGLN1OR51E2MAPK1SLC13A3ALDH1A1
SCHEMBL28167499 0.90 OR51E2 (0.46) EGLN1OR51E2MAPK1SLC13A3ALDH1A1
SCHEMBL25428238 0.88 OR51E2 (0.44) EGLN1OR51E2MAPK1SLC13A3ALDH1A1
SCHEMBL28754323 0.88 OR51E2 (0.44) EGLN1OR51E2MAPK1SLC13A3ALDH1A1
SCHEMBL6752506 0.86 EGLN1 (0.54) EGLN1OR51E2MAPK1SLC13A3ALDH1A1
SCHEMBL28604262 0.84 CYP1A2 (0.45) EGLN1OR51E2MAPK1SLC13A3ALDH1A1
SCHEMBL28466483 0.83 ALDH1A1 (0.42) EGLN1OR51E2MAPK1SLC13A3ALDH1A1
SCHEMBL2715404 0.83 OR51E2 (0.44) EGLN1OR51E2MAPK1SLC13A3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107254492-A The method for producing 1,3 butadiene 英威达技术有限责任公司 2017-10-17 CN disclosed
EP-2885400-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL HEXANES AND PENTANES FROM CARBOHYDRATE FEEDSTOCKS Celexion, LLC (US) 2015-06-24 EP disclosed
EP-2829601-A1 Bacterial cell having enhanced succinic acid production and a method for producing the succinic acid using the same Samsung Electronics Co., Ltd (KR) 2015-01-28 EP disclosed
WO-2014028026-A1 BIOLOGICAL SYNTHESIS OF DIFUNCTIONAL HEXANES AND PENTANES FROM CARBOHYDRATE FEEDSTOCKS CELEXION, LLC (US) 2014-02-20 WO disclosed
EP-2250264-A2 REGULATION OF CYCLIN D Dana-Farber Cancer Institute, Inc. (US) 2010-11-17 EP disclosed
WO-2009102469-A2 REGULATION OF CYCLIN D DANA FARBER CANCER INSTITUTE, INC. (US) 2009-08-20 WO disclosed