SCHEMBL7518552

SCHEMBL7518552

COC(=O)c1ccc([N+](=O)[O-])cc1OCCCC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 5/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.41
NR3C2 P08235 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL7973046 0.89 MAPT (0.43) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL2061973 0.83 MEN1 (0.48) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL25412944 0.83 MAPT (0.47) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL30910430 0.83 ALDH1A1 (0.40) MAPTMEN1KMT2AALDH1A1GAA
SCHEMBL15304421 0.81 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL30727333 0.81 TSHR (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL1185010 0.81 TSHR (0.49) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL7429642 0.80 MAPT (0.42) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL7526257 0.79 CHRNB2 (0.45) MAPTMEN1KMT2AALDH1A1POLB
SCHEMBL7525234 0.79 TSHR (0.41) MAPTMEN1KMT2AALDH1A1POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173414-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2002-01-23 EP disclosed
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 WO disclosed
WO-2000064864-A1 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-11-02 WO disclosed