SCHEMBL9201878

SCHEMBL9201878

CCCCNC(=O)OC1(c2cccc(C(F)(F)F)c2)NC(=O)CS1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
FAAH O00519 2/20 0.38
LMNA P02545 3/20 0.37
CASP6 P55212 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
HPGD P15428 1/20 0.37
TP53BP1 Q12888 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
KIF11 P52732 1/20 0.35
NAMPT P43490 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8103222 0.68 KDM1A (0.41) OPRM1OPRL1KIF11MEN1KMT2A
SCHEMBL4747324 0.66 ALDH1A1 (0.41) ALDH1A1LMNAKIF11SMN1; SMN2
SCHEMBL9201870 0.66 ALDH1A1 (0.42) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL15682958 0.65 FAAH (0.67) FAAH
SCHEMBL6359269 0.65 POLB (0.84) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL8661980 0.64 ALDH1A1 (0.48) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL5759619 0.63 MEN1 (0.61) ALDH1A1LMNAMEN1HTTKMT2A
SCHEMBL10881540 0.63 FAAH (0.54) HDAC3HDAC1HDAC2FAAH
SCHEMBL10887853 0.62 FAAH (0.53) HDAC3HDAC1HDAC2ALDH1A1POLB
SCHEMBL9597275 0.62 NAMPT (0.47) HDAC3HDAC1HDAC2ALDH1A1POLB

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