SCHEMBL4894974

SCHEMBL4894974

CCC(CC)C(CC)C(O)CCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PTPN1 P18031 1/20 0.35
CYP2D6 P10635 2/20 0.32
SPHK1 Q9NYA1 2/20 0.32
GMNN O75496 1/20 0.32
POLB P06746 1/20 0.32
THPO P40225 1/20 0.32
MTOR P42345 1/20 0.32
BLM P54132 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CETP P11597 1/20 0.32
HTT P42858 1/20 0.32
UBE2N P61088 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL4887223 0.84 LMNA (0.40) LMNAPTPN1ALDH1A1
SCHEMBL4898491 0.78 LMNA (0.54) LMNACYP2D6SPHK1GMNNPOLB
SCHEMBL10454296 0.77 LMNA (0.42) LMNAPTPN1CYP2D6SPHK1GMNN
SCHEMBL22418856 0.76 LMNA (0.44) LMNAPTPN1CYP2D6SPHK1GMNN
SCHEMBL3645948 0.76 LMNA (0.50) LMNAPTPN1CYP2D6SPHK1GMNN
SCHEMBL29023671 0.76 LMNA (0.45) LMNAPTPN1CYP2D6SPHK1GMNN
SCHEMBL4891055 0.76 LMNA (0.56) LMNA
SCHEMBL4893444 0.76 LMNA (0.50) LMNA
SCHEMBL3630693 0.75 PTPN1 (0.39) LMNAPTPN1CYP2D6SPHK1GMNN
SCHEMBL4881453 0.75 ALDH1A1 (0.42) LMNAPTPN1ALDH1A1SMN1; SMN2

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-20080293880-A1 Liquid, Thermally Curable Mixtures, Their Preparation and Use BASF COATINGS AG (DE) 2008-11-27 US claimed