SCHEMBL18940251

SCHEMBL18940251

CCOC(=O)C(C)(C)CC(C)(C)SF

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 3/20 0.35
MMP8 P22894 1/20 0.35
KDM4E B2RXH2 1/20 0.34
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL18363110 0.81 CYP4F2 (0.55) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL761783 0.78 CYP4F2 (0.48) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL14873553 0.77 CYP4F2 (0.52) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL8193495 0.74 CYP4F2 (0.48) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL8094002 0.74 CYP4F2 (0.48) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL10027503 0.74 CYP4F2 (0.48) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL12370572 0.74 CYP4F2 (0.48) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL12788167 0.74 CYP4F2 (0.48) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL8209270 0.74 CYP4F2 (0.48) CYP4F2CYP4A11MEN1KMT2AALDH1A1
SCHEMBL14231593 0.72 CYP4F2 (0.47) CYP4F2CYP4A11MEN1KMT2AALDH1A1

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-2017095806-A1 SITE-SPECIFIC RADIOFLUORINATION OF PEPTIDES WITH 8-[18F]-FLUOROOCTANOIC ACID CATALYZED BY LIPOIC ACID LIGASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-06-08 WO disclosed