SCHEMBL8540378

SCHEMBL8540378

Cc1c(O)cc(-c2ccc(OCc3cccnc3)cc2)oc1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.48
MAOB P27338 7/20 0.46
TERT O14746 2/20 0.45
DHODH Q02127 1/20 0.45
ADAMTS4 O75173 1/20 0.43
ACACB O00763 1/20 0.43
GRM2 Q14416 1/20 0.43
PRKDC P78527 2/20 0.43
MAOA P21397 1/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42

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
SCHEMBL7374103 0.85 CREB1 (0.48) TERTPRKDCPRKAB2PRKAG1PRKAA2
SCHEMBL7371500 0.82 ADAMTS4 (0.42) ACHEMAOBTERTDHODHADAMTS4
SCHEMBL6963290 0.82 TERT (0.43) TERTDHODHADAMTS4PRKAB2PRKAG1
SCHEMBL7376620 0.81 ADAMTS4 (0.42) ACHETERTDHODHADAMTS4GRM2
SCHEMBL7371871 0.81 ADAMTS4 (0.41) TERTDHODHADAMTS4ACACBGRM2
SCHEMBL8438712 0.80 ADAMTS4 (0.45) TERTDHODHADAMTS4ACACBPRKAB2
SCHEMBL7375817 0.79 MEN1 (0.41) TERTDHODHADAMTS4ACACBGRM2
SCHEMBL6959848 0.79 ADAMTS4 (0.40) ACHEMAOBTERTDHODHADAMTS4
SCHEMBL7379170 0.79 DHODH (0.39) ACHEMAOBTERTDHODHADAMTS4
SCHEMBL7375137 0.79 ADAMTS4 (0.43) TERTADAMTS4ACACB

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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed