SCHEMBL8409393

SCHEMBL8409393

O=[N+]([O-])c1ccc(O)c(CCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 5/20 0.53
ITGB7 P26010 5/20 0.53
MEN1 O00255 1/20 0.49
CRHBP P24387 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR2 Q13324 1/20 0.49
MAPT P10636 2/20 0.49
CXCR1 P25024 1/20 0.49
CXCR2 P25025 1/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR35 Q9HC97 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
PKM P14618 2/20 0.48
GAA P10253 2/20 0.48
CTSB P07858 1/20 0.48

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
SCHEMBL9163670 0.91 NPC1 (0.51) ITGA4ITGB7MEN1CRHBPKMT2A
SCHEMBL28297801 0.83 CYP1A2 (0.55) MAPTALDH1A1MAPK1GPR35PKM
SCHEMBL28021054 0.81 CYP1A2 (0.59) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL1470136 0.80 TSHR (0.55) MEN1CRHBPKMT2ACRHR2ALDH1A1
SCHEMBL25206989 0.80 CDC25C (0.54) ITGA4ITGB7CRHBPCRHR2ALDH1A1
SCHEMBL27583120 0.79 ALDH1A1 (0.65) MEN1CRHBPKMT2ACRHR2MAPT
SCHEMBL8405920 0.79 GPR35 (0.50) MEN1CRHBPKMT2ACRHR2MAPT
SCHEMBL4402148 0.79 ITGA4 (0.51) ITGA4ITGB7MEN1CRHBPKMT2A
SCHEMBL4236872 0.79 CYP1A2 (0.66) ITGA4ITGB7MEN1CRHBPKMT2A
SCHEMBL4686532 0.79 CYP1A2 (0.66) ITGA4ITGB7MEN1CRHBPKMT2A

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
EP-0778821-B1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LTD (GB) 1999-10-20 EP disclosed
US-5965741-A ANTIINFLAMMATORY, ANTIPYRETIC AND ANTIDIARRHOEAL PROPERTIES ZENECA LIMITED (GB) 1999-10-12 US disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO disclosed