SCHEMBL8464498

SCHEMBL8464498

CCCCCCCC/C=C\CCCCCCCC(NC(CCCCCCC/C=C\CCCCCCCC)C(C)CO)C(C)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.46
CETP P11597 3/20 0.45
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CNR1 P21554 4/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
THRB P10828 2/20 0.42
BLM P54132 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNK3 O14649 1/20 0.42
CNR2 P34972 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DGKA P23743 1/20 0.42
MEN1 O00255 1/20 0.41
GMNN O75496 1/20 0.41

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
SCHEMBL8406237 0.83 FFAR1 (0.45) DEGS1CETPALDH1A1KDM4EMAPT
SCHEMBL27510924 0.78 MAPT (0.54) CETPALDH1A1KDM4ECNR1MAPT
SCHEMBL7719510 0.74 LMNA (0.75) CETPALDH1A1CNR1MAPTMAPK1
SCHEMBL8625585 0.74 ADH1B (0.52) CNR1MAPTBLMCYP1A2CYP2C9
SCHEMBL7719513 0.74 LMNA (0.75) CETPALDH1A1CNR1MAPTMAPK1
SCHEMBL9307342 0.73 FFAR1 (0.57) DEGS1CETPALDH1A1MAPTMAPK1
SCHEMBL28531391 0.73 FFAR1 (0.57) DEGS1CETPALDH1A1MAPTMAPK1
SCHEMBL11748452 0.72 FAAH (0.53) ALDH1A1KDM4EMAPTBLMTP53
SCHEMBL14371262 0.72 FAAH (0.53) ALDH1A1KDM4EMAPTBLMTP53
SCHEMBL811313 0.72 FAAH (0.53) ALDH1A1KDM4EMAPTBLMTP53

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
EP-0931805-A1 TRIBLOCK OLIGOMERS, THERMOPLASTIC RESIN COMPOSITIONS, AND ANTIFOG MOLDINGS Mitsui Chemicals, Inc. (JP) 1999-07-28 EP disclosed