SCHEMBL8429950

SCHEMBL8429950

CC(C)(C)OC(=O)N1CCC(F)(CCCCCO)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
NR1H2 P55055 1/20 0.38
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.36
TACR1 P25103 1/20 0.36
GPR119 Q8TDV5 5/20 0.36
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36

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
SCHEMBL21644363 0.94 CYP4F2 (0.46) CYP4F2CYP4A11USP2SMN1; SMN2NR1H2
SCHEMBL20481347 0.90 CYP4F2 (0.52) CYP4F2CYP4A11USP2SMN1; SMN2TDP1
SCHEMBL20487757 0.90 CYP4F2 (0.52) CYP4F2CYP4A11USP2SMN1; SMN2TDP1
SCHEMBL1744071 0.88 USP2 (0.46) CYP4F2CYP4A11USP2SMN1; SMN2NR1H2
SCHEMBL20812730 0.84 CYP4F2 (0.54) CYP4F2CYP4A11USP2SMN1; SMN2TDP1
SCHEMBL22284343 0.83 CYP4F2 (0.52) CYP4F2CYP4A11USP2SMN1; SMN2TDP1
SCHEMBL321594 0.82 USP2 (0.49) CYP4F2CYP4A11USP2SMN1; SMN2NR1H2
SCHEMBL10172533 0.81 USP2 (0.50) USP2SMN1; SMN2NR1H2HPGDEPHX2
SCHEMBL23579455 0.80 CYP4F2 (0.43) CYP4F2CYP4A11USP2SMN1; SMN2NR1H2
SCHEMBL21565392 0.80 CYP4F2 (0.58) CYP4F2CYP4A11USP2SMN1; SMN2NR1H2

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
US-5973156-A Piperidine and tetrahydropyridine derivatives MERCK SHARP & DOME LTD. (GB) 1999-10-26 US disclosed