SCHEMBL9201870

SCHEMBL9201870

CCCCNC(=O)OC1SCC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HTR7 P34969 2/20 0.39
POLB P06746 1/20 0.39
FAAH O00519 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CCR2 P41597 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
LMNA P02545 2/20 0.37
BCHE P06276 1/20 0.37
CASP6 P55212 1/20 0.37
P2RX7 Q99572 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
CTSK P43235 1/20 0.36

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
SCHEMBL8661980 0.77 ALDH1A1 (0.48) ALDH1A1HSD17B10HDAC3HDAC1HDAC2
SCHEMBL27482279 0.69 MEN1 (0.46) ALDH1A1HTR7CCR2HTR2C
SCHEMBL8090603 0.69 LMNA (0.43) ALDH1A1HSD17B10POLBLMNA
SCHEMBL8089983 0.67 CA12 (0.38) ALDH1A1POLBDRD2DRD3LMNA
SCHEMBL27881749 0.67 GFER (0.61) ALDH1A1HTR7POLB
SCHEMBL8885544 0.67 LMNA (0.40) ALDH1A1HSD17B10POLBCCR2LMNA
SCHEMBL27519301 0.67 HTR7 (0.42) ALDH1A1HTR7POLBCCR2
SCHEMBL9201878 0.66 HDAC3 (0.41) ALDH1A1HDAC3HDAC1HDAC2POLB
SCHEMBL8103220 0.66 GFER (0.63) ALDH1A1HTR7POLB
SCHEMBL15682958 0.65 FAAH (0.67) FAAH

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-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed