SCHEMBL14159804

SCHEMBL14159804

O=C1CCC[C@H]2C3C=C[C@H](CC3)[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
GABRA1 P14867 1/20 0.32
GABRA5 P31644 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
KMT2A Q03164 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HSD11B1 P28845 1/20 0.31
HSD11B2 P80365 1/20 0.31
ATM Q13315 1/20 0.30

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
SCHEMBL9409642 1.00 POLB (0.35) POLBGABRA1GABRA5CA1CA2
SCHEMBL3813245 0.94 CA1 (0.39) POLBCA1CA2CA4KMT2A
SCHEMBL27053573 0.87 POLB (0.37) POLBKMT2AL3MBTL1APEX1RECQL
SCHEMBL14284261 0.86 ALDH1A1 (0.39) POLBKMT2AL3MBTL1RECQLTDP1
SCHEMBL30288169 0.86 ALDH1A1 (0.39) POLBKMT2AL3MBTL1RECQLTDP1
SCHEMBL30879564 0.86 ALDH1A1 (0.39) POLBKMT2AL3MBTL1RECQLTDP1
SCHEMBL30288152 0.86 ALDH1A1 (0.39) POLBKMT2AL3MBTL1RECQLTDP1
SCHEMBL2038990 0.86 ALDH1A1 (0.39) POLBKMT2AL3MBTL1RECQLTDP1
SCHEMBL4951220 0.72 ALDH1A1 (0.42) POLBKMT2AL3MBTL1RECQLTDP1
SCHEMBL27711787 0.70 CA1 (0.42) GABRA1GABRA5CA1CA2CA4

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
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
EP-1204643-B1 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2008-06-04 EP disclosed