SCHEMBL28026046

SCHEMBL28026046

CCCCc1cc(NC(C)=O)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
PKM P14618 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP1A2 P05177 2/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
BRD4 O60885 1/20 0.44
NR1I2 O75469 1/20 0.44

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
SCHEMBL11878187 0.95 POLB (0.50) POLBPKMMTNR1AMTNR1BALDH1A1
SCHEMBL11042959 0.88 POLB (0.48) POLBPKMMTNR1AMTNR1BALDH1A1
SCHEMBL8590962 0.88 TYR (0.56) POLBPKMALDH1A1CYP1A2HPGD
SCHEMBL31198180 0.85 POLB (0.58) POLBPKMALDH1A1CYP1A2HPGD
SCHEMBL12719477 0.84 ALDH1A1 (0.49) POLBALDH1A1CYP1A2HPGDRECQL
SCHEMBL9773576 0.84 POLB (0.50) POLBPKMALDH1A1CYP1A2SMN1; SMN2
SCHEMBL10888531 0.83 TYR (0.55) POLBPKMALDH1A1CYP1A2HPGD
SCHEMBL11044273 0.82 MTNR1A (0.45) POLBPKMMTNR1AMTNR1BALDH1A1
SCHEMBL28627643 0.81 EGFR (0.57) POLBPKMALDH1A1CYP1A2SMN1; SMN2
SCHEMBL7381634 0.81 POLB (0.48) POLBALDH1A1HPGDRECQLSMN1; SMN2

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-104725636-A Soluble polyimide containing ether bond and tertiary butyl and preparation method thereof UNIV SHANGHAI JIAOTONG 2015-06-24 CN disclosed