SCHEMBL28279031

SCHEMBL28279031

COCCOc1ccccc1.[KH]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.61
PKM P14618 2/20 0.59
TAAR1 Q96RJ0 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RECQL P46063 1/20 0.54
HTR1B P28222 2/20 0.54
HTR1D P28221 1/20 0.54
MAPT P10636 1/20 0.53
RAB9A P51151 1/20 0.53
LTA4H P09960 3/20 0.52
CHRNB2 P17787 2/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNA4 P43681 2/20 0.50
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48

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
SCHEMBL213738 0.98 KCNA3 (0.64) KCNA3PKMTAAR1ALDH1A1RECQL
Ammonia Solution, Strong SCHEMBL3997746 0.95 KCNA3 (0.61) KCNA3PKMTAAR1ALDH1A1RECQL
SCHEMBL10711044 0.91 KCNA3 (0.56) KCNA3PKMTAAR1ALDH1A1RECQL
SCHEMBL22297235 0.91 KCNA3 (0.56) KCNA3PKMTAAR1ALDH1A1RECQL
SCHEMBL11134448 0.91 KCNA3 (0.56) KCNA3PKMTAAR1ALDH1A1RECQL
SCHEMBL1535614 0.91 KCNA3 (0.56) KCNA3PKMTAAR1ALDH1A1RECQL
SCHEMBL5897061 0.91 KCNA3 (0.56) KCNA3PKMTAAR1ALDH1A1RECQL
SCHEMBL11696618 0.89 LTA4H (0.68) KCNA3PKMMAPTRAB9ALTA4H
SCHEMBL7244326 0.86 KCNA3 (0.76) KCNA3PKMTAAR1ALDH1A1RECQL
SCHEMBL3370563 0.86 KCNA3 (0.68) KCNA3PKMTAAR1ALDH1A1RECQL

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-106750240-B A kind of synthetic method of the single-ended ether series compound of polyethylene glycol 湖北航天化学技术研究所 2019-02-22 CN disclosed