SCHEMBL9515077

SCHEMBL9515077

CCCCC/C=C(/C=O)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.52
TSHR P16473 3/20 0.46
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
TERT O14746 2/20 0.36
GMNN O75496 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
APEX1 P27695 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL5157807 1.00 EP300 (0.52) EP300TSHRFAAHTRPV1ALDH1A1
SCHEMBL9514594 0.98 EP300 (0.55) EP300TSHRFAAHTRPV1LMNA
SCHEMBL11800106 0.98 EP300 (0.55) EP300TSHRFAAHTRPV1LMNA
SCHEMBL9516141 0.98 EP300 (0.55) EP300TSHRFAAHTRPV1LMNA
SCHEMBL9514756 0.98 EP300 (0.55) EP300TSHRFAAHTRPV1LMNA
SCHEMBL9514758 0.98 EP300 (0.55) EP300TSHRFAAHTRPV1LMNA
SCHEMBL9516145 0.98 EP300 (0.55) EP300TSHRFAAHTRPV1LMNA
SCHEMBL9514597 0.98 EP300 (0.55) EP300TSHRFAAHTRPV1LMNA
SCHEMBL670347 0.93 TSHR (0.46) EP300TSHRFAAHTRPV1ALDH1A1
SCHEMBL9530111 0.93 TSHR (0.46) EP300TSHRFAAHTRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190241822-A1 COMPOSITION FOR REMOVING IRON SULFIDE KURARAY CO., LTD. (JP) 2019-08-08 US disclosed
EP-3486353-A1 COMPOSITION FOR REMOVING IRON SULFIDE Kuraray Co., Ltd. (JP) 2019-05-22 EP disclosed
US-20170291866-A1 Production of Mixed Aldol Products from the Products of Hydroformylation Reactions Texmark Chemicals, Inc. (US) 2017-10-12 US disclosed
US-9688599-B2 Production of mixed aldol products from the products of hydroformylation reactions Texmark Chemicals, Inc. (US) 2017-06-27 US disclosed
US-20150299081-A1 Production of Mixed Aldol Products from the Products of Hydroformylation Reactions Texmark Chemicals, Inc. (US) 2015-10-22 US disclosed
WO-2015161321-A1 PRODUCTION OF MIXED ALDOL PRODUCTS FROM THE PRODUCTS OF HYDROFORMYLATION REACTIONS Texmark Chemicals, Inc. (US) 2015-10-22 WO disclosed
EP-0274379-B1 PROCESS FOR PREPARING PYRIDINE-2,3-DICARBOXYLIC ACID COMPOUNDS SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-06-30 EP disclosed
US-4973695-A FROM UNSATURATED ALDEHYDE OR KETONE WITH OXODIESTER SUGAI CHEMICAL IND. CO., LTD. (JP) 1990-11-27 US disclosed
EP-0274379-A2 Process for preparing pyridine-2,3-dicarboxylic acid compounds SUGAI CHEMICAL INDUSTRY CO., LTD. (JP) 1988-07-13 EP disclosed