SCHEMBL28053840

SCHEMBL28053840

O=C(O)C(CCCCc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
GRM2 Q14416 2/20 0.49
GRM3 Q14832 2/20 0.49
HDAC1 Q13547 7/20 0.48
HDAC2 Q92769 4/20 0.48
HDAC3 O15379 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
HDAC4 P56524 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
MAPK1 P28482 1/20 0.48
ADRA1A P35348 1/20 0.48
SLC6A3 Q01959 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
FAAH O00519 3/20 0.47

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
SCHEMBL28053716 0.98 MAPT (0.53) MAPTRXFP1GRM2GRM3HDAC1
SCHEMBL27948395 0.95 HDAC1 (0.50) MAPTRXFP1GRM2GRM3HDAC1
SCHEMBL27932646 0.87 KEAP1 (0.47) MAPTRXFP1GRM2GRM3HDAC1
SCHEMBL7335192 0.81 HDAC1 (0.49) MAPTRXFP1HDAC1HDAC2HDAC3
SCHEMBL28826369 0.81 CASP1 (0.43) MAPTRXFP1GRM2GRM3HDAC1
SCHEMBL5511990 0.80 GAA (0.46) MAPK1CES1
SCHEMBL5393356 0.79 GRM2 (0.54) MAPTRXFP1GRM2GRM3HDAC1
SCHEMBL11288238 0.79 GAA (0.45) CES1
SCHEMBL21269704 0.79 GAA (0.45) MAPK1CES1
SCHEMBL11291699 0.79 GAA (0.45) CES1

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
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN claimed
CN-103459467-B Polybenzoxazole resin and precursor thereof MITSUBISHI GAS CHEMICAL CO.,INC. (JP) 2016-04-06 CN disclosed