SCHEMBL27637481

SCHEMBL27637481

CC(Oc1ccccc1)C(=O)OC(=O)CCOc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 2/20 0.43
PKM P14618 1/20 0.43
ALOX5 P09917 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL10553647 0.83 MAPT (0.54) LMNAL3MBTL1ALDH1A1MAPTTDP1
SCHEMBL10553638 0.81 GAA (0.56) LMNAL3MBTL1ALDH1A1MAPTTDP1
SCHEMBL6700987 0.81 CYP1A2 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19CYP3A4
SCHEMBL27637482 0.79 CYP1A2 (0.57) LMNAL3MBTL1TDP1CYP1A2CYP2C9
SCHEMBL6937827 0.78 RECQL (0.53) L3MBTL1ALDH1A1MAPTTDP1CYP1A2
SCHEMBL27528801 0.78 MTNR1A (0.53) L3MBTL1ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL5046734 0.78 MAPT (0.45) LMNAL3MBTL1ALDH1A1MAPTHPGD
SCHEMBL1533588 0.76 ALDH1A1 (0.58) L3MBTL1ALDH1A1MAPTTDP1CYP1A2
SCHEMBL14317565 0.75 MTNR1A (0.50) L3MBTL1ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL13444677 0.74 LMNA (0.54) LMNAL3MBTL1ALDH1A1MAPTTDP1

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
CN-1724532-A Colorant compound XEROX CORP (US) 2006-01-25 CN disclosed