SCHEMBL9115290

SCHEMBL9115290

C#CC(N)(CO)C(O)CCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.41
SPHK1 Q9NYA1 2/20 0.41
LMNA P02545 2/20 0.41
GMNN O75496 1/20 0.41
POLB P06746 1/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 1/20 0.41
BLM P54132 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CETP P11597 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
GPR84 Q9NQS5 5/20 0.35
FFAR1 O14842 1/20 0.35
LAP3 P28838 1/20 0.33

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
Phosphoric Acid SCHEMBL9115149 0.92 LAP3 (0.42) LAP3
SCHEMBL9245727 0.76 SGPL1 (0.44) LAP3
SCHEMBL28235625 0.74 CYP2D6 (0.46) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL5671085 0.73 SPHK1 (0.50) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL10944404 0.73 SPHK1 (0.50) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL10944400 0.73 SPHK1 (0.50) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL4008504 0.73 SPHK1 (0.50) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL8499519 0.71 FFAR4 (0.46) CYP2D6SPHK1LMNAGMNNPOLB
SCHEMBL23706318 0.71 LMNA (0.48) CYP2D6SPHK1LMNAGMNNPOLB
Hydrochloric Acid SCHEMBL5053423 0.71 SPHK1 (0.48) CYP2D6SPHK1LMNAGMNNPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995021848-A1 SPHINGOID BASES AND METHODS FOR THEIR PREPARATION AND USE THE UNITED STATES OF AMERICA, REPRESENTED BY THE (US) 1995-08-17 WO disclosed
US-5430169-A Method for preparation of sphingoid bases THE UNITED STATES OF AMERICA REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-07-04 US disclosed