SCHEMBL3673099

SCHEMBL3673099

CCCCC(=CN(CC)CC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.40
CES1 P23141 2/20 0.39
CES2 O00748 1/20 0.39
ALDH1A1 P00352 4/20 0.39
AKR1B1 P15121 1/20 0.37
TP53 P04637 1/20 0.37
GPR84 Q9NQS5 7/20 0.35
PPARG P37231 6/20 0.35
PPARD Q03181 6/20 0.35
PPARA Q07869 6/20 0.35
HDAC11 Q96DB2 5/20 0.35
TSHR P16473 4/20 0.35
TLR2 O60603 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
FABP4 P15090 2/20 0.35
PTPN1 P18031 2/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
MEN1 O00255 1/20 0.35
ESR1 P03372 1/20 0.35

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
SCHEMBL18613576 0.92 GPR84 (0.47) APEX1CES1CES2ALDH1A1AKR1B1
SCHEMBL499598 0.92 GPR84 (0.47) APEX1CES1CES2ALDH1A1AKR1B1
SCHEMBL3342552 0.88 HDAC3 (0.39) CES1CES2ALDH1A1AKR1B1TSHR
SCHEMBL6663024 0.86 APEX1 (0.39) APEX1CES1CES2ALDH1A1AKR1B1
SCHEMBL9319559 0.82 CES1 (0.38) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL1772976 0.82 ALDH1A1 (0.45) APEX1CES1CES2ALDH1A1AKR1B1
SCHEMBL526261 0.79 FFAR3 (0.35) TSHR
SCHEMBL8755479 0.78 AKR1B1 (0.35) ALDH1A1AKR1B1GPR84PPARGPPARD
SCHEMBL2578198 0.77 CES1 (0.44) APEX1CES1CES2ALDH1A1AKR1B1
SCHEMBL1287562 0.76 CES1 (0.48) APEX1CES1CES2ALDH1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183322-A2 METHOD FOR PRODUCING COMPOSITE FIBER MATERIALS BASF SE (DE) 2010-05-12 EP disclosed
WO-2009027297-A2 METHOD FOR PRODUCING COMPOSITE FIBER MATERIALS BASF SE (DE) 2009-03-05 WO disclosed
EP-0286019-B1 USE OF GRAFT POLYMERS ON THE BASE OF POLYESTER, POLYESTERURETHANES AND POLYESTERAMIDES AS GREYNESS INHIBITORS IN WASHING AGENTS BASF Aktiengesellschaft (DE) 1990-06-27 EP disclosed
EP-0286019-A1 Use of graft polymers on the base of polyester, polyesterurethanes and polyesteramides as greyness inhibitors in washing agents BASF Aktiengesellschaft (DE) 1988-10-12 EP disclosed