SCHEMBL28181502

SCHEMBL28181502

COc1ccc([C@H](C[N+](=O)[O-])c2cc(C)ccc2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
ALDH1A1 P00352 6/20 0.49
HTT P42858 5/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 8/20 0.46
KMT2A Q03164 4/20 0.46
HSP90AA1 P07900 2/20 0.46
APAF1 O14727 1/20 0.46
TDP2 O95551 1/20 0.46
CASP3 P42574 1/20 0.46
BLM P54132 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
LMNA P02545 6/20 0.46
HPGD P15428 3/20 0.46
NTSR1 P30989 1/20 0.46
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL28181504 1.00 MAPT (0.49) MAPTALDH1A1HTTKDM4EGAA
SCHEMBL28619015 0.90 MAPT (0.49) MAPTALDH1A1HTTKDM4EGAA
SCHEMBL28619014 0.90 MAPT (0.49) MAPTALDH1A1HTTKDM4EGAA
SCHEMBL28606573 0.85 MAPT (0.54) MAPTALDH1A1HTTKDM4EGAA
SCHEMBL28606575 0.85 MAPT (0.54) MAPTALDH1A1HTTKDM4EGAA
SCHEMBL28180768 0.85 GAA (0.52) MAPTALDH1A1HTTGAAKMT2A
SCHEMBL28180767 0.85 GAA (0.52) MAPTALDH1A1HTTGAAKMT2A
SCHEMBL28615007 0.85 KMT2A (0.48) MAPTALDH1A1HTTKDM4EGAA
SCHEMBL28606655 0.85 MAPT (0.46) MAPTALDH1A1HTTKDM4EGAA
SCHEMBL28606656 0.85 MAPT (0.46) MAPTALDH1A1HTTKDM4EGAA

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
CN-107188771-B Chiral synthesis method of gamma-nitrophenol compound 浙江工业大学 2021-08-24 CN disclosed
CN-107188771-A Chiral synthesis method of gamma-nitrophenol compound 浙江工业大学 2017-09-22 CN disclosed