SCHEMBL28530657

SCHEMBL28530657

CCCCCCC(C)(C)C(C)(C)NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
GGPS1 O95749 6/20 0.37
FDPS P14324 10/20 0.35
SMPD1 P17405 4/20 0.35
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EPHX1 P07099 1/20 0.32

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
SCHEMBL28791182 0.92 SPHK2 (0.34) SPHK2SPHK1FDPS
SCHEMBL28529701 0.84 ALDH1A1 (0.31)
SCHEMBL24278922 0.82 SPHK2 (0.38) SPHK2SPHK1GGPS1FDPSSMPD1
SCHEMBL22003046 0.82 SPHK2 (0.38) SPHK2SPHK1GGPS1FDPSSMPD1
SCHEMBL22355857 0.81 SPHK2 (0.43) SPHK2SPHK1GGPS1FDPSSMPD1
SCHEMBL21940509 0.81 SPHK2 (0.43) SPHK2SPHK1GGPS1FDPSSMPD1
SCHEMBL23772149 0.81 SPHK2 (0.43) SPHK2SPHK1GGPS1FDPSSMPD1
SCHEMBL29183474 0.77 GGPS1 (0.34) SPHK2SPHK1GGPS1FDPSSMPD1
SCHEMBL28846845 0.77 SPHK2 (0.43) SPHK2SPHK1GGPS1FDPSSMPD1
SCHEMBL24620820 0.76 SPHK2 (0.36) SPHK2SPHK1GGPS1FDPSSMPD1

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
CN-108201773-B Method for absorbing volatile organic compounds in gas by using hydrophilic switchable reversible solvent 昆明理工大学 2021-03-02 CN disclosed