SCHEMBL16256580

SCHEMBL16256580

CCc1ccc(OC)cc1C1=C(O)CC(CC2CCOC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 2/20 0.36
▸ CYP27A1 Q02318 1/20 0.36
▸ METAP1 P53582 3/20 0.34
▸ ACHE P22303 1/20 0.34
▸ CNR1 P21554 3/20 0.34
▸ CNR2 P34972 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ CYP26A1 O43174 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PIK3CG P48736 1/20 0.33
▸ PIK3CA P42336 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
SCHEMBL16256586 0.94 CYP24A1 (0.37) CYP24A1CYP27A1METAP1ACHECNR1
SCHEMBL16256582 0.89 CYP26A1 (0.36) CYP24A1METAP1ACHECNR1CNR2
SCHEMBL19070823 0.88 HSD17B3 (0.32) CNR1CNR2CYP26A1PIK3CGPIK3CA
SCHEMBL16256581 0.87 CNR2 (0.37) CYP24A1METAP1ACHECNR1CNR2
SCHEMBL16256584 0.82 CYP26A1 (0.38) CYP24A1METAP1ACHECNR1CNR2
SCHEMBL19070272 0.81 CNR1 (0.34) ACHECNR1CNR2CYP3A4MAPT
SCHEMBL16256588 0.81 CNR2 (0.38) CYP24A1METAP1ACHECNR1CNR2
SCHEMBL19071509 0.80 XDH (0.33) PIK3CGPIK3CA
SCHEMBL16256583 0.80 METAP1 (0.40) CYP24A1CYP27A1METAP1ACHECYP3A4
SCHEMBL16256575 0.77 ACHE (0.54) CYP24A1CYP27A1METAP1ACHECYP3A4

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
Send feedback