SCHEMBL4891618

SCHEMBL4891618

CCCCCCCCCC(N)C(C)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.61
CYP2D6 P10635 2/20 0.57
TP53 P04637 2/20 0.57
LMNA P02545 2/20 0.57
GMNN O75496 1/20 0.57
POLB P06746 1/20 0.57
THPO P40225 1/20 0.57
MTOR P42345 1/20 0.57
BLM P54132 1/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
CETP P11597 1/20 0.57
HTT P42858 1/20 0.57
UBE2N P61088 1/20 0.57
OPRM1 P35372 1/20 0.54
LAP3 P28838 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
TRPA1 O75762 1/20 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
SCHEMBL3786621 1.00 SPHK1 (0.61) SPHK1CYP2D6TP53LMNAGMNN
SCHEMBL8369324 1.00 SPHK1 (0.61) SPHK1CYP2D6TP53LMNAGMNN
SCHEMBL460570 1.00 SPHK1 (0.61) SPHK1CYP2D6TP53LMNAGMNN
SCHEMBL1742708 1.00 SPHK1 (0.61) SPHK1CYP2D6TP53LMNAGMNN
Hydrochloric Acid SCHEMBL11461378 0.98 SPHK1 (0.59) SPHK1CYP2D6TP53LMNAGMNN
Hydrochloric Acid SCHEMBL11187511 0.98 SPHK1 (0.59) SPHK1CYP2D6TP53LMNAGMNN
SCHEMBL6157769 0.98 SPHK1 (0.58) SPHK1CYP2D6TP53LMNAGMNN
SCHEMBL18923235 0.90
SCHEMBL15241781 0.90
SCHEMBL18109589 0.90

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-20080020217-A1 Colorless Transparent Polyimide Composite Film and Method for Producing Same MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-01-24 US disclosed