SCHEMBL9116836

SCHEMBL9116836

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 3/20 0.41
LMNA P02545 3/20 0.41
CYP2D6 P10635 2/20 0.41
GMNN O75496 2/20 0.41
POLB P06746 2/20 0.41
BLM P54132 2/20 0.41
MAPT P10636 2/20 0.41
CETP P11597 2/20 0.41
UBE2N P61088 2/20 0.41
THPO P40225 1/20 0.41
MTOR P42345 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
HTT P42858 1/20 0.41
GPR84 Q9NQS5 7/20 0.35
FFAR1 O14842 1/20 0.35
LAP3 P28838 1/20 0.33
MEN1 O00255 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
SCHEMBL30718031 1.00 SPHK1 (0.41) SPHK1LMNACYP2D6GMNNPOLB
Phosphoric Acid SCHEMBL9117264 0.92 LAP3 (0.42) LAP3
SCHEMBL27683561 0.77 LMNA (0.39) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL6915675 0.76 SGPL1 (0.44)
SCHEMBL28235625 0.74 CYP2D6 (0.46) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL4008504 0.73 SPHK1 (0.50) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL5671085 0.73 SPHK1 (0.50) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL10944400 0.73 SPHK1 (0.50) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL10944404 0.73 SPHK1 (0.50) SPHK1LMNACYP2D6GMNNPOLB
SCHEMBL8499519 0.71 FFAR4 (0.46) SPHK1LMNACYP2D6GMNNPOLB

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