SCHEMBL7296118

SCHEMBL7296118

COc1ccc(CO)c(CCc2cccc(Cl)c2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.49
POLB P06746 2/20 0.44
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
APEX1 P27695 1/20 0.41
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
ABCB1 P08183 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39

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
SCHEMBL7286476 0.86 SLC2A1 (0.61) SLC2A1POLBHTR1AABCB1SMN1; SMN2
SCHEMBL10382981 0.86 SLC2A1 (0.47) SLC2A1POLBHTR1AADRA1DADRA1A
Hydrochloric Acid SCHEMBL10383913 0.85 SLC2A1 (0.53) SLC2A1MEN1KMT2AAPEX1TAAR1
SCHEMBL7285255 0.84 SLC2A1 (0.47) SLC2A1POLBPKMMEN1KMT2A
SCHEMBL7273729 0.84 SLC2A1 (0.52) SLC2A1POLBABCB1SMN1; SMN2TAAR1
SCHEMBL7440335 0.82 TUBB4A (0.50) POLBKMT2AABCB1TUBB4ATUBB
SCHEMBL7442211 0.81 TUBB4A (0.55) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL7438719 0.81 MEN1 (0.51) SLC2A1POLBMEN1KMT2AHTR1A
SCHEMBL7284175 0.80 APEX1 (0.53) SLC2A1POLBPKMMEN1KMT2A
Methyl Alcohol SCHEMBL7431285 0.79 ABCB1 (0.54) POLBPKMHTR1AADRA1DADRA1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0223598-B1 CATECHOLAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF FISONS plc (GB) 1991-06-12 EP disclosed
US-4939147-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC. (GB) 1990-07-03 US disclosed
US-4922022-A Substituted 3,4-dihydroxy phenylethylamino compounds FISONS PLC (GB) 1990-05-01 US disclosed
US-4883804-A Aromatic compounds FISONS PLC (GB) 1989-11-28 US disclosed