SCHEMBL5451678

SCHEMBL5451678

C=CCCCC=CCOCCOC(=O)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ABCC4 O15439 1/20 0.41
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 3/20 0.34
USP2 O75604 2/20 0.34
RECQL P46063 2/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MGLL Q99685 1/20 0.34
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
TBXA2R P21731 1/20 0.32
TERT O14746 2/20 0.32
GMNN O75496 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL5436266 0.94 EPHX2 (0.38) MAPTABCC4EPHX2ALDH1A1LMNA
SCHEMBL5437789 0.90 ALDH1A1 (0.44) MAPTABCC4EPHX2ALDH1A1LMNA
SCHEMBL5443446 0.83 MAPT (0.37) MAPTEPHX2ALDH1A1LMNAUSP2
SCHEMBL222246 0.81 TSHR (0.40) MAPTABCC4ALDH1A1LMNASMN1; SMN2
SCHEMBL7860952 0.81 MAPT (0.58) MAPTABCC4ALDH1A1LMNAUSP2
SCHEMBL5675420 0.80 ALDH1A1 (0.44) MAPTALDH1A1LMNAUSP2RECQL
SCHEMBL5441923 0.80 ALDH1A1 (0.44) MAPTALDH1A1LMNAUSP2RECQL
SCHEMBL5440237 0.80 ALDH1A1 (0.44) MAPTALDH1A1LMNAUSP2RECQL
SCHEMBL5440233 0.80 ALDH1A1 (0.44) MAPTALDH1A1LMNAUSP2RECQL
SCHEMBL13325746 0.80 ALDH1A1 (0.42) MAPTABCC4ALDH1A1LMNASMN1; SMN2

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
US-20070060713-A1 Reactive diluents in coating formulation BP CHEMICALS LIMITED (GB) 2007-03-15 US disclosed
EP-1620515-B1 REACTIVE DILUENTS IN COATING FORMULATION UNIV SOUTHERN MISSISSIPPI RES (US) 2006-12-27 EP disclosed
EP-1620515-A1 REACTIVE DILUENTS IN COATING FORMULATION The University of Southern Mississippi Research Foundation (US) 2006-02-01 EP disclosed
WO-2004099329-A1 REACTIVE DILUENTS IN COATING FORMULATION THE UNIVERSITY OF SOUTHERN MISSISSIPPI RESEARCH FOUNDATION (US) 2004-11-18 WO disclosed