SCHEMBL8375273

SCHEMBL8375273

C[N+](C)CCOc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.58
TAAR1 Q96RJ0 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RECQL P46063 1/20 0.52
HTR1B P28222 2/20 0.52
HTR1D P28221 1/20 0.52
LTA4H P09960 4/20 0.50
CHRNB2 P17787 2/20 0.48
CHRNB4 P30926 2/20 0.48
CHRNA3 P32297 2/20 0.48
CHRNA7 P36544 2/20 0.48
CHRNA4 P43681 2/20 0.48
PKM P14618 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 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
SCHEMBL27962 0.77 KCNA3 (0.82) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL1490164 0.75 KCNA3 (1.00) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL1025 0.75 KCNA3 (0.88) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL8736235 0.74 KCNA3 (0.54) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL144684 0.73 LTA4H (0.68) KCNA3TAAR1ALDH1A1RECQLHTR1B
Benzene SCHEMBL27683055 0.73 LTA4H (0.68) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL14134168 0.73 LTA4H (0.68) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL7162177 0.73 KCNA3 (0.58) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL10904079 0.72 KCNA3 (0.94) KCNA3TAAR1ALDH1A1RECQLHTR1B
SCHEMBL2512157 0.72 KCNA3 (0.94) KCNA3TAAR1ALDH1A1RECQLHTR1B

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
US-5986042-A Cross-linked polymer MITSUI CHEMICALS, INC. (JP) 1999-11-16 US disclosed
EP-0856539-A1 Cross-linked polymer Mitsui Chemicals, Inc. (JP) 1998-08-05 EP disclosed