SCHEMBL28053719

SCHEMBL28053719

CCCCC(c1ccccc1)C(C(=O)O)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CTSK P43235 7/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSH P09668 1/20 0.42
CTSS P25774 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CNR2 P34972 2/20 0.40
NAAA Q02083 2/20 0.39
CNR1 P21554 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KIF11 P52732 1/20 0.39
MME P08473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 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
SCHEMBL28053821 0.90 CNR1 (0.41) POLBNPSR1CNR2CNR1MEN1
SCHEMBL27932639 0.83 LMNA (0.42) POLBCNR2CNR1MEN1KMT2A
SCHEMBL28053822 0.83 CTSK (0.39) POLBCTSKCTSLCTSBCTSH
SCHEMBL9815248 0.79 NAAA (0.43) POLBNPSR1CNR2NAAAMEN1
SCHEMBL27604017 0.79 NAAA (0.43) POLBNPSR1CNR2NAAAMEN1
SCHEMBL28686414 0.79 POLB (0.39) POLBMEN1KMT2AKIF11KDM4E
SCHEMBL7760569 0.78 POLB (0.41) POLBCTSKCTSLCTSBCTSH
SCHEMBL10424312 0.78 MMP2 (0.44) CTSKCTSLCTSBCTSHCTSS
SCHEMBL10521419 0.78 MEN1 (0.43) POLBCNR2NAAAMEN1KMT2A
SCHEMBL9297676 0.77 POLB (0.44) POLBCTSKNPSR1CNR2NAAA

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