SCHEMBL5146287

SCHEMBL5146287

CCC(=O)Nc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(NC(=O)CC)c2F)c1F.CCCC(=O)Nc1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(NC(=O)CCC)c2F)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
MAPK1 P28482 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.33
EPHX2 P34913 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
SCHEMBL483155 0.97 ALDH1A1 (0.38) ALDH1A1MAPK1POLBGAALMNA
SCHEMBL483279 0.94 ALPL (0.38) ALDH1A1POLBLMNANPSR1ALPL
SCHEMBL482899 0.90 ALDH1A1 (0.39) ALDH1A1POLBGAALMNANPSR1
SCHEMBL28741272 0.89 EPHX2 (0.40) ALDH1A1MAPK1GAALMNANPSR1
SCHEMBL483022 0.88 EP300 (0.41) ALDH1A1GAALMNANPSR1KMT2A
SCHEMBL482917 0.88 EP300 (0.41) ALDH1A1GAALMNANPSR1KMT2A
SCHEMBL482938 0.84 ALDH1A1 (0.35) ALDH1A1POLBGAALMNANPSR1
SCHEMBL482956 0.83 RAB9A (0.53) ALDH1A1MAPK1POLBGAALMNA
SCHEMBL483069 0.81 HDAC1 (0.39) ALDH1A1MAPK1POLBGAALMNA
SCHEMBL483275 0.80 CYP1A2 (0.42) ALDH1A1MAPK1KDM4EPKMMAPT

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-20070015087-A1 Photosensitive composition FUJI PHOTO FILM CO., LTD. 2007-01-18 US disclosed