SCHEMBL7288753

SCHEMBL7288753

CCOC(=O)C(Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HTT P42858 1/20 0.45
KCNMA1 Q12791 1/20 0.44
POLB P06746 1/20 0.44
S1PR4 O95977 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL3359038 0.95 LMNA (0.47) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL6975821 0.81 MAPT (0.52) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL5802973 0.81 MAPT (0.52) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL3353885 0.78 ALDH1A1 (0.47) ALDH1A1MAPTLMNATDP1HTT
SCHEMBL17432580 0.77 L3MBTL1 (0.60) ALDH1A1MAPTLMNAHPGDMAPK1
SCHEMBL6210271 0.77 LMNA (0.48) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL3359039 0.76 XDH (0.43) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL7677025 0.75 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL7673654 0.74 ALDH1A1 (0.49) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL624054 0.74 ALDH1A1 (0.64) ALDH1A1MAPTLMNASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7076581-A None JP disclosed
JP-H0776581-A INDUSTRIAL PRODUCTION OF 1,4-BENZOXAZINE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1995-03-20 JP disclosed
EP-0313393-B1 Benzoxazine compounds and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 1994-03-16 EP disclosed
US-4892872-A ANTIEMETICS, ANTINAUSEA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-01-09 US disclosed