SCHEMBL8863671

SCHEMBL8863671

COc1ccc2c(c1)C(C)(C)[C@@]1(Oc3c(cccc3OC)C=C1[N+](=O)[O-])N2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
SNCA P37840 3/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
MAPK1 P28482 4/20 0.35
ALDH1A1 P00352 5/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 3/20 0.33
KDM4E B2RXH2 2/20 0.33
THRB P10828 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 2/20 0.33
ALOX12 P18054 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GFER P55789 1/20 0.33

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
SCHEMBL8680344 0.74 MAPT (0.44) MAPTSMN1; SMN2MAPK1ALDH1A1ALOX15
SCHEMBL8680559 0.73 MAPT (0.41) MAPTSMN1; SMN2MAPK1ALDH1A1ALOX15
SCHEMBL8678920 0.73 MEN1 (0.56) MAPTSNCASMN1; SMN2MAPK1ALDH1A1
SCHEMBL8680176 0.70 KMT2A (0.48) MAPTSNCASMN1; SMN2MAPK1ALDH1A1
SCHEMBL8680103 0.70 MEN1 (0.46) MAPTSNCASMN1; SMN2MAPK1ALDH1A1
SCHEMBL8680552 0.69 SMN1; SMN2 (0.50) MAPTSMN1; SMN2MAPK1ALDH1A1ALOX15
SCHEMBL4183155 0.67 MEN1 (0.48) MAPTSMN1; SMN2MAPK1ALDH1A1ALOX15
SCHEMBL8681134 0.67 SMN1; SMN2 (0.48) MAPTSMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL8682138 0.67 MEN1 (0.42) MAPTSNCASMN1; SMN2MAPK1ALDH1A1
SCHEMBL8685259 0.67 SMN1; SMN2 (0.52) MAPTSMN1; SMN2MAPK1ALDH1A1ALOX15

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-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed