SCHEMBL27468286

SCHEMBL27468286

CCCCCCCN(C(=O)C(C)(C)CCC)c1ccc(F)[c]c1F.[Ti]

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PAX8 Q06710 2/20 0.34
JAK2 O60674 1/20 0.34
GPX4 P36969 1/20 0.32
MLYCD O95822 3/20 0.31
PPARG P37231 1/20 0.31
PPARD Q03181 1/20 0.31
PPARA Q07869 1/20 0.31
RIPK1 Q13546 1/20 0.30
ICMT O60725 1/20 0.30
ALB P02768 1/20 0.30
SOAT1 P35610 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
SCHEMBL27497667 0.95 MLYCD (0.32) MLYCDRIPK1
SCHEMBL27466386 0.94 MLYCD (0.33) MLYCDRIPK1
SCHEMBL27483224 0.93 RIPK1 (0.35) ALDH1A1TP53NPC1RAB9APAX8
SCHEMBL27481381 0.92 RIPK1 (0.36) ALDH1A1TP53NPC1RAB9APAX8
SCHEMBL27465352 0.85 RARB (0.32)
SCHEMBL27515872 0.85 MLYCD (0.38) MLYCDRIPK1
SCHEMBL27483567 0.85 MEN1 (0.37) ALDH1A1TP53MLYCD
SCHEMBL27481766 0.85 MLYCD (0.32) ALDH1A1TP53NPC1MLYCD
SCHEMBL27498303 0.85 LMNA (0.33) ALDH1A1
SCHEMBL27482476 0.80 NPC1 (0.43) ALDH1A1TP53NPC1RAB9APAX8

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