SCHEMBL8719281

SCHEMBL8719281

CCC(CO)C(O)CCCCCCCCCC(O)CCCCCCCCCCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
CYP2D6 P10635 2/20 0.40
SPHK1 Q9NYA1 2/20 0.40
GMNN O75496 1/20 0.40
POLB P06746 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
BLM P54132 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CETP P11597 1/20 0.40
HTT P42858 1/20 0.40
UBE2N P61088 1/20 0.40
FFAR4 Q5NUL3 1/20 0.35
FFAR1 O14842 1/20 0.35
PSMD14 O00487 2/20 0.35
PLA2G1B P04054 2/20 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
SCHEMBL9311345 0.98 LMNA (0.53) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL5852277 0.96 LMNA (0.55) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL11154922 0.94 LMNA (0.61) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL7062297 0.92 LMNA (0.55) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL5675272 0.86 LMNA (0.48) LMNACYP2D6SPHK1GMNNPOLB
Ethohexadiol SCHEMBL6924000 0.85 LMNA (0.68) LMNACYP2D6SPHK1GMNNPOLB
Ethohexadiol SCHEMBL10783406 0.84 LMNA (0.79) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL3645948 0.83 LMNA (0.50) LMNACYP2D6SPHK1GMNNPOLB
Ethohexadiol SCHEMBL28102536 0.82 LMNA (0.76) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL12490944 0.82 LMNA (0.68) 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
US-5733965-A MOLDABLE RUBBER MIXTURE WITH FILLERS FOR TIRES BAYER AG (DE) 1998-03-31 US disclosed