SCHEMBL27482135

SCHEMBL27482135

CCCCC(C)(C)C(=O)N(c1ccc(F)c([Ti])c1F)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD11B1 P28845 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
CNR2 P34972 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 2/20 0.31
RIPK1 Q13546 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL27559906 0.93 RIPK1 (0.34) ALDH1A1MEN1KMT2AHSD11B1CYP1A2
SCHEMBL27497014 0.79 RIPK1 (0.34) ALDH1A1MEN1KMT2AHSD11B1CYP1A2
SCHEMBL19970893 0.74 CYP1A2 (0.31) HSD11B1CYP1A2CYP3A4GAACYP2C19
SCHEMBL4621748 0.72 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL6847810 0.72 RIPK1 (0.37) MEN1KMT2ARIPK1
SCHEMBL482927 0.72
SCHEMBL27467773 0.71 SLC6A9 (0.45) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL27482848 0.71 LMNA (0.45) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL17237542 0.70 RIPK1 (0.42) RIPK1
SCHEMBL27467296 0.70 LMNA (0.36) ALDH1A1MEN1KMT2AGAALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1171122-C Optical polymerism composition 富士胶片株式会社 2004-10-13 CN disclosed
CN-1319784-A Optical polymerism composition FUJI PHOTO FILM CO LTD (JP) 2001-10-31 CN disclosed