SCHEMBL27482133

SCHEMBL27482133

CCCCN(C(=O)c1ccccc1)c1ccc(F)[c]c1F.[Ti]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ADRB2 P07550 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
ADRA2C P18825 1/20 0.41
S1PR1 P21453 3/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
TP53 P04637 1/20 0.36
GRM1 Q13255 1/20 0.36
LPAR1 Q92633 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
SCHEMBL27482476 0.96 NPC1 (0.43) MLYCDALDH1A1ADRB2GAAHPGD
SCHEMBL27481387 0.89 MLYCD (0.35) MLYCDALDH1A1ADRB2GAAHPGD
SCHEMBL27482472 0.88 S1PR1 (0.45) MLYCDALDH1A1ADRB2GAAHPGD
SCHEMBL27482469 0.88 RARB (0.36) MLYCDALDH1A1ADRB2GAAHPGD
SCHEMBL27465870 0.84 S1PR1 (0.46) ALDH1A1S1PR1HDAC1NPC1JAK2
SCHEMBL27535481 0.83 ALDH1A1 (0.38) MLYCDALDH1A1ADRB2GAAHPGD
SCHEMBL27497663 0.81 MLYCD (0.35) MLYCDALDH1A1HPGDADRA2CMAPT
SCHEMBL27565953 0.80 TP53 (0.44) ALDH1A1HPGDS1PR1MAPTNPC1
SCHEMBL27483567 0.80 MEN1 (0.37) MLYCDALDH1A1TP53MEN1KMT2A
SCHEMBL27497667 0.78 MLYCD (0.32) MLYCD

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