SCHEMBL8775982

SCHEMBL8775982

COc1cccc(NC(=O)N(O)CCCCCCC(c2ccccc2)c2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.51
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TBXAS1 P24557 1/20 0.48
THRB P10828 1/20 0.48
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
ALPL P05186 1/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HDAC1 Q13547 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL8776039 0.96 CASR (0.53) CASRTSHRSMN1; SMN2TBXAS1THRB
SCHEMBL8775822 0.83 TBXAS1 (0.55) CASRSMN1; SMN2TBXAS1ALDH1A1MEN1
SCHEMBL8776092 0.78 TBXAS1 (0.58) CASRSMN1; SMN2TBXAS1ALDH1A1LMNA
SCHEMBL8775765 0.78 ROCK2 (0.48) CASRTSHRSMN1; SMN2THRBALDH1A1
SCHEMBL8776013 0.77 TBXAS1 (0.56) CASRSMN1; SMN2TBXAS1ALDH1A1LMNA
SCHEMBL8776110 0.77 TBXAS1 (0.56) TBXAS1EPHX2
SCHEMBL8775932 0.75 TBXAS1 (0.53) CASRSMN1; SMN2TBXAS1MEN1LMNA
SCHEMBL8776095 0.75 TBXAS1 (0.64) SMN1; SMN2TBXAS1LMNAHTTEPHX2
SCHEMBL8775780 0.75 TBXAS1 (0.64) SMN1; SMN2TBXAS1LMNAHTTEPHX2
SCHEMBL8775884 0.75 TBXAS1 (0.64) SMN1; SMN2TBXAS1LMNAHTTEPHX2

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
EP-0807626-A1 N-HYDROXYUREA DERIVATIVES Nikken Chemicals Company, Limited (JP) 1997-11-19 EP disclosed