SCHEMBL4649729

SCHEMBL4649729

CC(CO)c1cc(O)c2cc(Br)ccc2c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.40
HPGD P15428 1/20 0.38
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPK8 P45983 7/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACE2 Q9BYF1 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
SCHEMBL27748011 0.79 MAPK8 (0.41) HPGDPRNPPPARGRXFP1NR2E3
SCHEMBL3143388 0.71 PRNP (0.39) DPP4HPGDPRNPPPARGRXFP1
SCHEMBL19834746 0.70 TRPA1 (0.42) MEN1KMT2ALMNAACE2
SCHEMBL824275 0.69 ALDH1A1 (0.48) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL4584724 0.69 ALDH1A1 (0.48) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL27748010 0.68 NPC1 (0.38) HPGDALDH1A1MAPTGAAMAPK8
SCHEMBL30136959 0.68 ALDH1A1 (0.46) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL389776 0.68 ALDH1A1 (0.46) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL13777187 0.68 DCLK1 (0.50) DPP4PRNPPPARGRXFP1NR2E3
SCHEMBL4572765 0.66 ALDH1A1 (0.44) DPP4PRNPPPARGRXFP1NR2E3

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
EP-1963896-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2008-09-03 EP disclosed
WO-2007073462-A1 PHOTOCHROMIC MATERIALS HAVING ELECTRON-WITHDRAWING SUBSTITUENTS TRANSITIONS OPTICAL, INC. (US) 2007-06-28 WO disclosed