SCHEMBL28645955

SCHEMBL28645955

C[SiH](OCCOc1ccccc1)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.50
PKM P14618 2/20 0.47
HTR1B P28222 2/20 0.46
HTR1D P28221 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RECQL P46063 1/20 0.45
LTA4H P09960 3/20 0.44
CHRNB2 P17787 2/20 0.43
CHRNB4 P30926 2/20 0.43
CHRNA3 P32297 2/20 0.43
CHRNA7 P36544 2/20 0.43
CHRNA4 P43681 2/20 0.43
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL5395774 0.82 KCNA3 (0.56) KCNA3PKMHTR1BHTR1DTAAR1
SCHEMBL19927500 0.78 LTA4H (0.42) KCNA3HTR1BHTR1DLTA4HCHRNB2
SCHEMBL11234011 0.77 KCNA3 (0.61) KCNA3PKMHTR1BHTR1DTAAR1
SCHEMBL5400858 0.77 KCNA3 (0.50) KCNA3PKMHTR1BHTR1DTAAR1
SCHEMBL28926899 0.77 KCNA3 (0.50) KCNA3PKMHTR1BHTR1DTAAR1
SCHEMBL310041 0.76 CA4 (0.48) KCNA3HTR1BHTR1DTAAR1ALDH1A1
SCHEMBL27962 0.76 KCNA3 (0.82) KCNA3PKMHTR1BHTR1DTAAR1
SCHEMBL28658218 0.76 KCNA3 (0.48) KCNA3PKMHTR1BHTR1DTAAR1
SCHEMBL28659936 0.74 KCNA3 (0.52) KCNA3PKMHTR1BHTR1DTAAR1
SCHEMBL28665027 0.74 TSHR (0.43) ALDH1A1MAPTRAB9AHDAC6

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-109715680-B Process for preparing high cis-1, 4-polydienes with lanthanide-based catalyst compositions 株式会社普利司通 2021-10-19 CN disclosed