SCHEMBL7639709

SCHEMBL7639709

COC(=O)c1ccccc1CCCCOC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
DHODH Q02127 1/20 0.48
SCN1A P35498 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 5/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC16A3 O15427 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CFTR P13569 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7643006 0.99 ALDH1A1 (0.56) LMNAALDH1A1DHODHSCN1ASCN2A
SCHEMBL7643424 0.99 ALDH1A1 (0.56) LMNAALDH1A1DHODHSCN1ASCN2A
SCHEMBL7200256 0.99 ALDH1A1 (0.56) LMNAALDH1A1DHODHSCN1ASCN2A
SCHEMBL6472210 0.99 ALDH1A1 (0.56) LMNAALDH1A1DHODHSCN1ASCN2A
SCHEMBL6436474 0.99 ALDH1A1 (0.56) LMNAALDH1A1DHODHSCN1ASCN2A
SCHEMBL7639717 0.90 LMNA (0.59) LMNAALDH1A1DHODHSCN1ASCN2A
SCHEMBL7644390 0.86 TSHR (0.54) LMNAALDH1A1SCN1ASCN2ASCN3A
SCHEMBL6467395 0.86 TSHR (0.54) LMNAALDH1A1SCN1ASCN2ASCN3A
SCHEMBL7036472 0.86 TSHR (0.54) LMNAALDH1A1SCN1ASCN2ASCN3A
SCHEMBL385826 0.81 ALDH1A1 (0.64) LMNAALDH1A1DHODHCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410777-B1 HALOGEN-FREE TEIJIN LIMITED (JP) 2002-06-25 US disclosed
EP-0980861-A1 SALICYLIC ESTER DERIVATIVES AND PROCESS FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2000-02-23 EP disclosed