SCHEMBL5809840

SCHEMBL5809840

OC[C@H]1Cc2cccc(Br)c2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
RXFP1 Q9HBX9 1/20 0.39
PRKAB2 O43741 2/20 0.39
PRKAG1 P54619 2/20 0.39
PRKAA2 P54646 2/20 0.39
PRKAA1 Q13131 2/20 0.39
PRKAG3 Q9UGI9 2/20 0.39
PRKAG2 Q9UGJ0 2/20 0.39
PRKAB1 Q9Y478 2/20 0.39
PARP1 P09874 3/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL4222577 1.00 KDM4E (0.41) KDM4EALDH1A1HPGDRXFP1PRKAB2
SCHEMBL13993008 0.84 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL5794998 0.81 DRD2 (0.46) KDM4EALDH1A1HPGDPRKAB2PRKAG1
SCHEMBL15758912 0.81 PRKAB2 (0.48) KDM4EALDH1A1HPGDRXFP1PRKAB2
SCHEMBL4221938 0.80 PRKAB2 (0.42) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15758209 0.79 AQP1 (0.39) KDM4EALDH1A1HPGDRXFP1PRKAB2
SCHEMBL14047097 0.79 PRKAB2 (0.41) KDM4EALDH1A1HPGDRXFP1PRKAB2
SCHEMBL4596960 0.79 HPGD (0.56) KDM4EALDH1A1HPGDPRKAB2PRKAG1
SCHEMBL4221927 0.79 AQP1 (0.48) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL8269776 0.79 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
WO-2006000902-A1 DIHYDROBENZOFURAN COMPOUNDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2006-01-05 WO disclosed