SCHEMBL28004362

SCHEMBL28004362

O=C(O)c1ccccc1C(=O)OCC(Br)CBr

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
TSHR P16473 6/20 0.53
CYP3A4 P08684 3/20 0.47
CA2 P00918 1/20 0.47
ALOX15 P16050 1/20 0.45
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL29600986 1.00 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4CA2ALOX15
SCHEMBL4810190 0.93 ALDH1A1 (0.59) ALDH1A1TSHRCYP3A4CA2PRSS1
SCHEMBL94551 0.83 ALDH1A1 (0.36) ALDH1A1TSHRCYP3A4CA2PRSS1
SCHEMBL828389 0.83 ALDH1A1 (0.61) ALDH1A1TSHRCYP3A4CA2ALOX15
SCHEMBL11340024 0.83 ADRB2 (0.53) ALDH1A1TSHRCYP3A4CA2PRSS1
SCHEMBL5102913 0.82 ALDH1A1 (0.46) ALDH1A1TSHRCYP3A4CA2PRSS1
SCHEMBL10402323 0.82 ALDH1A1 (0.44) ALDH1A1TSHRTDP1L3MBTL1LMNA
SCHEMBL28237115 0.82 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4CA2TDP1
SCHEMBL9849542 0.81 ALDH1A1 (0.62) ALDH1A1TSHRNPC1TDP1L3MBTL1
SCHEMBL5739185 0.81 ALDH1A1 (0.67) ALDH1A1TSHRCYP3A4CA2ALOX15

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-104349865-A Solder paste MITSUBISHI MATERIALS CORP 2015-02-11 CN disclosed