SCHEMBL7973046

SCHEMBL7973046

CC(C)(C)OC(=O)CCCOc1cc([N+](=O)[O-])ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
NPC1 O15118 1/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7518552 0.89 MAPT (0.46) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL25412944 0.85 MAPT (0.47) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL13440151 0.82 CYP19A1 (0.52) MAPTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL30910450 0.82 HTT (0.38) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL2060325 0.82 CA12 (0.48) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL7429642 0.82 MAPT (0.42) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL13440156 0.80 CYP19A1 (0.55) MAPTALDH1A1TDP1CYP3A4ALOX15
SCHEMBL27103147 0.79 RAB9A (0.40) MAPTMEN1KMT2AALDH1A1TDP1
SCHEMBL27924546 0.79 CYP19A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15TP53
SCHEMBL15304420 0.79 MAPT (0.43) MAPTMEN1KMT2AALDH1A1TDP1

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
WO-2000064864-A9 N-PROTECTED AMINES AND THEIR USE AS PRODRUGS CANCER RES CAMPAIGN TECH (GB) 2001-12-27 WO disclosed