SCHEMBL28214899

SCHEMBL28214899

CCCCCC(O)C(CCCO)CCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
CYP2D6 P10635 2/20 0.50
SPHK1 Q9NYA1 2/20 0.50
GMNN O75496 1/20 0.50
POLB P06746 1/20 0.50
THPO P40225 1/20 0.50
MTOR P42345 1/20 0.50
BLM P54132 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
CETP P11597 1/20 0.50
HTT P42858 1/20 0.50
UBE2N P61088 1/20 0.50
PTPN1 P18031 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL6691849 0.98 LMNA (0.53) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL29155441 0.98 LMNA (0.53) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL27894466 0.93 LMNA (0.56) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL3894962 0.93 LMNA (0.56) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL2640053 0.89 LMNA (0.48) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL28046743 0.89 PTPN1 (0.46) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL8517654 0.88 SPHK1 (0.60) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL17506687 0.88 SPHK1 (0.54) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL751283 0.88 SPHK1 (0.60) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL8652229 0.88 SPHK1 (0.60) LMNACYP2D6SPHK1GMNNPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107987260-A Modified poly ester and preparation method thereof 江苏恒力化纤股份有限公司 2018-05-04 CN disclosed