SCHEMBL5613611

SCHEMBL5613611

COc1ccc(C=CC(=O)O)c([N+](=O)[O-])c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 3/20 0.49
LMNA P02545 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 2/20 0.47
HTR1A P08908 1/20 0.47
HTR2C P28335 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
NTSR1 P30989 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL28009577 1.00 MAPT (0.49) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL17504462 0.86 MAPT (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL17504460 0.86 MAPT (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL28522703 0.84 LMNA (0.58) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL5385338 0.83 KDM4E (0.59) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL5385330 0.83 KDM4E (0.59) MAPTALDH1A1POLBLMNASMN1; SMN2
SCHEMBL27841658 0.81 NFE2L2 (0.56) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL285232 0.81 ABCG2 (0.71) ALDH1A1HPGDLMNASMN1; SMN2NPC1
SCHEMBL285231 0.81 ABCG2 (0.71) ALDH1A1HPGDLMNASMN1; SMN2NPC1
SCHEMBL30560976 0.81 ABCG2 (0.71) ALDH1A1HPGDLMNASMN1; SMN2NPC1

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
EP-1747059-A1 PERVAPORATION COMPOSITE MEMBRANES McMaster University (CA) 2007-01-31 EP claimed
WO-2005102503-A1 PERVAPORATION COMPOSITE MEMBRANES MCMASTER UNIVERSITY (CA) 2005-11-03 WO claimed