SCHEMBL9033112

SCHEMBL9033112

COc1cc(C(=O)CO)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.42
CYP3A4 P08684 1/20 0.42
POLB P06746 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL16960110 0.84 ALOX5 (0.46) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9999712 0.83 CYP3A4 (0.53) ALOX5MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11067722 0.83 CYP3A4 (0.59) ALOX5MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL1099548 0.82 MEN1 (0.55) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL31191372 0.82 ALDH1A1 (0.53) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13879003 0.81 HTT (0.58) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL5838889 0.81 KDM4E (0.50) KMT2ASMN1; SMN2ALDH1A1POLB
SCHEMBL1719601 0.81 SMN1; SMN2 (0.68) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL419102 0.81 ALOX5 (0.55) ALOX5MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL16396603 0.81 ALDH1A1 (0.51) ALOX5MEN1KMT2AMAPTSMN1; SMN2

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-0485984-B1 Diarylmethoxypiperidine derivatives UBE INDUSTRIES (JP) 1996-04-24 EP disclosed
US-5225559-A DIARYLMETHOXYPIPERIDINE DERIVATIVES UBE INDUSTRIES, LTD. (JP) 1993-07-06 US disclosed
EP-0485984-A2 Diarylmethoxypiperidine derivatives UBE INDUSTRIES, LTD. (JP) 1992-05-20 EP disclosed