SCHEMBL27485145

SCHEMBL27485145

O=C(Cl)OC(=O)c1ccccc1C(=O)OC(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 9/20 0.43
ALOX15 P16050 3/20 0.43
CYP3A4 P08684 2/20 0.42
NPC1 O15118 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 2/20 0.39
CFTR P13569 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL30623705 0.85 NPC1 (0.47) TSHRNPC1L3MBTL1LMNAHPGD
SCHEMBL3806746 0.85 NPC1 (0.47) TSHRNPC1L3MBTL1LMNAHPGD
SCHEMBL9786704 0.83 ALDH1A1 (0.52) TSHRALDH1A1ALOX15CYP3A4NPC1
SCHEMBL9895330 0.82 MAPT (0.34) TSHRALDH1A1ALOX15CES2CES1
SCHEMBL28035137 0.82 NR4A1 (0.55) ALDH1A1CYP3A4NPC1L3MBTL1LMNA
SCHEMBL9895706 0.81 ALDH1A1 (0.32) TSHRALDH1A1ALOX15CES2CES1
Bicarbonate SCHEMBL27331839 0.80 NPC1 (0.47) TSHRNPC1L3MBTL1LMNAHPGD
SCHEMBL8028505 0.79 TSHR (0.78) TSHRALDH1A1CYP3A4TDP1L3MBTL1
SCHEMBL1151641 0.78 LMNA (0.58) TSHRALDH1A1CES2CES1TDP1
SCHEMBL5806487 0.77 ALDH1A1 (0.50) TSHRALDH1A1ALOX15CYP3A4NPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1504460-A Bulk dyeing using quinophthalone dyestuffs 2004-06-16 CN claimed
CN-1197083-A Bulk dyeing process using quinolone derivative dyes BAYER AG (DE) 1998-10-28 CN claimed
CN-1504460-A Bulk dyeing using quinophthalone dyestuffs 2004-06-16 CN disclosed
CN-1197083-A Bulk dyeing process using quinolone derivative dyes BAYER AG (DE) 1998-10-28 CN disclosed