SCHEMBL3944884

SCHEMBL3944884

CCCCCCCCCCc1ccc(C(=O)NCC2(CC(=O)OCC)CCNC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 9/20 0.45
▸ SPHK2 Q9NRA0 2/20 0.45
▸ TRPV1 Q8NER1 1/20 0.40
▸ PLK1 P53350 6/20 0.39

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
SCHEMBL3937357 0.86 SPHK1 (0.42) SPHK1SPHK2TRPV1PLK1
SCHEMBL981221 0.83 SPHK1 (0.51) SPHK1SPHK2PLK1
SCHEMBL980299 0.74 EPHX2 (0.44) SPHK1
SCHEMBL980126 0.72 AKT1 (0.46) —
SCHEMBL979605 0.71 SPHK1 (0.50) SPHK1SPHK2PLK1
SCHEMBL13953019 0.70 HAO1 (0.65) —
SCHEMBL11982117 0.69 MAPT (0.60) TRPV1PLK1
SCHEMBL28562555 0.69 THRA (0.64) TRPV1PLK1
SCHEMBL3796237 0.69 THRA (0.59) —
SCHEMBL12040863 0.69 THRA (0.59) —

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-2009015485-A1 CYCLIC INHIBITORS OF CARNITINE PALMITOYLTRANSFERASE AND TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2009-02-05 — — WO disclosed
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