SCHEMBL7639717

SCHEMBL7639717

COC(=O)c1ccccc1CCCCOC(=O)OCCCCc1ccccc1C(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
ALDH1A1 P00352 3/20 0.59
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 5/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
DHODH Q02127 1/20 0.46
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HIF1A Q16665 1/20 0.44
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 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
SCHEMBL7639709 0.90 LMNA (0.57) LMNAALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL7643006 0.88 ALDH1A1 (0.56) LMNAALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL7200256 0.88 ALDH1A1 (0.56) LMNAALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL6436474 0.88 ALDH1A1 (0.56) LMNAALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL6472210 0.88 ALDH1A1 (0.56) LMNAALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL7643424 0.88 ALDH1A1 (0.56) LMNAALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL385826 0.83 ALDH1A1 (0.64) LMNAALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL28106654 0.83 ALDH1A1 (0.64) LMNAALDH1A1CYP1A2CYP2C19SMN1; SMN2
SCHEMBL3554041 0.83 ALDH1A1 (0.64) LMNAALDH1A1TSHRDHODHHIF1A
SCHEMBL10360804 0.82 ALDH1A1 (0.77) LMNAALDH1A1TSHRHIF1ACFTR

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