SCHEMBL3937357

SCHEMBL3937357

CCCCCCCCCCc1ccc(C(=O)NCC2(CC(=O)OC(=O)C(F)(F)F)CCNC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 9/20 0.42
▸ SPHK2 Q9NRA0 2/20 0.42
▸ MLYCD O95822 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ PLK1 P53350 2/20 0.38
▸ PLK3 Q9H4B4 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ TAOK1 Q7L7X3 2/20 0.37
▸ TAOK3 Q9H2K8 2/20 0.37

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
SCHEMBL3944884 0.86 SPHK1 (0.45) SPHK1SPHK2PLK1TRPV1
SCHEMBL977801 0.73 SPHK1 (0.46) SPHK1SPHK2FAAHPLK1PLK3
SCHEMBL979060 0.73 SPHK1 (0.46) SPHK1SPHK2FAAHPLK1PLK3
SCHEMBL25286795 0.72 FAAH (0.62) FAAH
SCHEMBL982488 0.72 EPHX2 (0.44) SPHK1FAAH
SCHEMBL981069 0.70 FAAH (0.39) FAAH
SCHEMBL980153 0.70 FAAH (0.39) SPHK1FAAH
SCHEMBL3946349 0.70 FAAH (0.38) FAAH
SCHEMBL981221 0.70 SPHK1 (0.51) SPHK1SPHK2PLK1PLK3
SCHEMBL3941311 0.69 S1PR1 (0.42) SPHK1FAAH

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
Send feedback