SCHEMBL16256581

SCHEMBL16256581

COc1ccc(C2CC2)c(C2=C(O)CC(CC3CCOC3)C2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.37
▸ CYP3A4 P08684 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ METAP1 P53582 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ CNR1 P21554 4/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CYP26A1 O43174 1/20 0.33
▸ CYP24A1 Q07973 1/20 0.33
▸ XDH P47989 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
SCHEMBL16256588 0.94 CNR2 (0.38) CNR2CYP3A4MAPTHPGDMEN1
SCHEMBL16256582 0.88 CYP26A1 (0.36) CNR2CYP3A4MAPTHPGDMEN1
SCHEMBL16256580 0.87 CYP24A1 (0.36) CNR2CYP3A4MAPTHPGDMEN1
SCHEMBL19071000 0.87 DRD4 (0.33) CNR2PIK3CACNR1XDH
SCHEMBL16256584 0.82 CYP26A1 (0.38) CNR2ALDH1A1METAP1PIK3CACNR1
SCHEMBL19071509 0.81 XDH (0.33) PIK3CAXDH
SCHEMBL16256579 0.81 METAP1 (0.39) CYP3A4MAPTHPGDMEN1USP2
SCHEMBL16256586 0.81 CYP24A1 (0.37) CNR2KMT2AMETAP1CNR1ACHE
SCHEMBL19070317 0.80 OPRL1 (0.33) CNR2PIK3CACNR1ACHECYP26A1
SCHEMBL16256577 0.77 ACHE (0.52) CYP3A4MAPTHPGDMEN1USP2

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-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 — — US disclosed
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