SCHEMBL9707038

SCHEMBL9707038

O=[Si](OCCOc1ccccc1)OCCOc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
PKM P14618 2/20 0.52
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 1/20 0.50
PARP10 Q53GL7 1/20 0.48
THRB P10828 1/20 0.46
HTR1B P28222 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45

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
SCHEMBL9707040 0.83 PKM (0.53) KCNA3PKMALDH1A1RAB9ATAAR1
SCHEMBL27962 0.81 KCNA3 (0.82) KCNA3PKMALDH1A1TAAR1RECQL
Ethylene SCHEMBL29058163 0.76 KCNA3 (0.74) KCNA3PKMALDH1A1TAAR1RECQL
SCHEMBL5697816 0.75 KCNA3 (0.64) KCNA3PKMALDH1A1RAB9ATAAR1
SCHEMBL2481801 0.74 KCNA3 (0.70) KCNA3PKMALDH1A1TAAR1RECQL
SCHEMBL11087417 0.74 KCNA3 (0.70) KCNA3PKMALDH1A1TAAR1RECQL
SCHEMBL148066 0.74 KCNA3 (0.70) KCNA3PKMALDH1A1TAAR1RECQL
SCHEMBL10452423 0.74 KCNA3 (0.70) KCNA3PKMALDH1A1TAAR1RECQL
SCHEMBL5067163 0.74 KCNA3 (0.70) KCNA3PKMALDH1A1TAAR1RECQL
SCHEMBL466750 0.74 KCNA3 (0.70) KCNA3PKMALDH1A1TAAR1RECQL

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
EP-0516855-A1 POLYISOCYANATE COMPOSITION DOW MITSUBISHI KASEI LIMITED (JP) 1992-12-09 EP disclosed