SCHEMBL8307192

SCHEMBL8307192

COC(=O)c1ccc(C)c(O)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
PDGFRA P16234 1/20 0.43
FLT1 P17948 1/20 0.43
FGFR3 P22607 1/20 0.43
KDR P35968 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 3/20 0.42
HPGD P15428 2/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 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
SCHEMBL1354839 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2APDGFRB
SCHEMBL29559950 0.85 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2APDGFRB
SCHEMBL503509 0.83 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2AHPGDTSHR
SCHEMBL728962 0.83 KDM4E (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL3667323 0.83 COMT (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL1354361 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APDGFRB
SCHEMBL558904 0.83 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MEN1KMT2APDGFRB
SCHEMBL15398667 0.82 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2APDGFRB
SCHEMBL27797779 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2APDGFRB
SCHEMBL27600489 0.81 GAA (0.46) SMN1; SMN2ALDH1A1MEN1KMT2APDGFRB

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-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed