SCHEMBL2334799

SCHEMBL2334799

Nc1ccccc1C1OC(=O)c2ccccc21.O=C1OCc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
MAPK14 Q16539 6/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TYMS P04818 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
SLC9A3 P48764 1/20 0.34
PRF1 P14222 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2334033 0.85 ALDH1A1 (0.61) MAOAALDH1A1GAACA1CA2
SCHEMBL6903786 0.74 MAOA (1.00) MAOAMAOBALDH1A1MAPTLMNA
SCHEMBL6353583 0.74 MAOA (1.00) MAOAMAOBALDH1A1MAPTLMNA
SCHEMBL29448271 0.74 MAOA (1.00) MAOAMAOBALDH1A1MAPTLMNA
SCHEMBL11522370 0.74 MAOA (1.00) MAOAMAOBALDH1A1MAPTLMNA
SCHEMBL22284 0.74 MAOA (1.00) MAOAMAOBALDH1A1MAPTLMNA
SCHEMBL9191686 0.74 ALDH1A1 (0.56) MAOAMAOBALDH1A1MAPTGAA
Fluoride SCHEMBL8592140 0.73 MAOA (0.95) MAOAMAOBALDH1A1MAPTLMNA
Water SCHEMBL11007472 0.73 MAOA (0.95) MAOAMAOBALDH1A1MAPTLMNA
Benzene SCHEMBL18492989 0.73 MAOA (0.95) MAOAMAOBALDH1A1MAPTLMNA

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-2358840-A1 MULTI COLOR, PHOTOACTIVE, COLOR CHANGING COMPOSITIONS AND UV DOSIMETERS BASF SE (DE) 2011-08-24 EP disclosed
WO-2010037660-A1 MULTI COLOR, PHOTOACTIVE, COLOR CHANGING COMPOSITIONS AND UV DOSIMETERS BASF SE (DE) 2010-04-08 WO disclosed