SCHEMBL8709778

SCHEMBL8709778

COC(=O)C1C(OC)CCCC1C(=O)Cc1c(C)cc(C)cc1C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
POLB P06746 2/20 0.34
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX2 P34913 1/20 0.33
P2RX7 Q99572 1/20 0.33
TAS1R3 Q7RTX0 4/20 0.32
TAS1R1 Q7RTX1 4/20 0.32
TAS1R2 Q8TE23 4/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 2/20 0.31
CRHR1 P34998 1/20 0.30
HTT P42858 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
SCHEMBL8708008 0.91 POLB (0.35) KDM4EALDH1A1POLBGAAMEN1
SCHEMBL8703759 0.90 ALDH1A1 (0.35) KDM4EALDH1A1POLBGAANPSR1
SCHEMBL8005960 0.89 POLB (0.33) KDM4EALDH1A1POLBGAANPSR1
SCHEMBL8703071 0.86 TAS1R3 (0.40) KDM4EALDH1A1POLBGAANPSR1
Bicarbonate SCHEMBL8015583 0.85 KDM4E (0.35) KDM4EALDH1A1POLBGAANPSR1
SCHEMBL8704584 0.84 POLB (0.38) ALDH1A1POLBGAANPSR1EPHX2
SCHEMBL8019301 0.84 KDM4E (0.33) KDM4EALDH1A1POLBGAANPSR1
SCHEMBL8708300 0.82 ALDH1A1 (0.34) KDM4EALDH1A1POLBNPSR1MEN1
Bicarbonate SCHEMBL8019305 0.82 KDM4E (0.38) KDM4EALDH1A1POLBGAANPSR1
SCHEMBL8703748 0.82 TAS1R3 (0.39) KDM4EALDH1A1POLBGAANPSR1

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-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed