SCHEMBL15935933

SCHEMBL15935933

CCCCCCCCCCCCc1ccc(C(=O)N2CCC[C@H]2CO)cc1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 15/20 0.67
SPHK2 Q9NRA0 9/20 0.67
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL15935942 1.00 SPHK1 (0.67) SPHK1SPHK2POLBMEN1NPC1
SCHEMBL2743392 0.86 SPHK1 (0.61) SPHK1SPHK2
SCHEMBL2743394 0.86 SPHK1 (0.61) SPHK1SPHK2
SCHEMBL18978575 0.85 SPHK1 (0.70) SPHK1SPHK2
SCHEMBL18978465 0.85 SPHK1 (0.70) SPHK1SPHK2
SCHEMBL18978451 0.85 SPHK1 (0.70) SPHK1SPHK2
SCHEMBL2343429 0.84 SPHK1 (0.60) SPHK1SPHK2
SCHEMBL2343431 0.84 SPHK1 (0.60) SPHK1SPHK2
SCHEMBL19732173 0.83 SPHK1 (0.70) SPHK1SPHK2MEN1KMT2A
SCHEMBL18969861 0.82 SPHK1 (0.80) SPHK1SPHK2

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
WO-2014118556-A2 SELECTIVE INHIBITORS AND ALLOSTERIC ACTIVATORS OF SPHINGOSINE KINASE RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2014-08-07 WO disclosed