SCHEMBL8973339

SCHEMBL8973339

O=[N+]([O-])Sc1ccc(OC2CCCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.41
HPGD P15428 1/20 0.40
EPHX2 P34913 4/20 0.38
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.37
GRM2 Q14416 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP19A1 P11511 2/20 0.36
MEN1 O00255 1/20 0.36
PTGES O14684 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS1 P23219 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL25583638 0.78 CYP19A1 (0.50) PARP10EPHX2ALDH1A1TSHRSMN1; SMN2
SCHEMBL3910348 0.78 CYP19A1 (0.50) PARP10EPHX2ALDH1A1TSHRSMN1; SMN2
SCHEMBL25583651 0.78 CYP19A1 (0.50) PARP10EPHX2ALDH1A1TSHRSMN1; SMN2
SCHEMBL943014 0.77 PARP10 (0.46) PARP10HPGDEPHX2ALDH1A1TSHR
SCHEMBL18058688 0.77 SMN1; SMN2 (0.54) PARP10HPGDEPHX2ALDH1A1TSHR
SCHEMBL2242868 0.76 PARP10 (0.55) PARP10HPGDEPHX2ALDH1A1TSHR
SCHEMBL8973048 0.76 MAPT (0.50) PARP10EPHX2ALDH1A1TSHRSMN1; SMN2
SCHEMBL3457580 0.75 PARP10 (0.47) PARP10HPGDEPHX2ALDH1A1TSHR
SCHEMBL20443245 0.73 MAOB (0.47) PARP10HPGDEPHX2ALDH1A1TSHR
SCHEMBL510644 0.72 FBP1 (0.55) HPGDALDH1A1SMN1; SMN2MAPTLMNA

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-0335274-B1 Formation of nitrophenyl ethers from polyols and nitroanisoles DOW CHEMICAL CO (US) 1996-03-13 EP disclosed
US-4960950-A Formation of nitrophenyl ethers from polyols and nitroanisoles THE DOW CHEMICAL COMPANY (US) 1990-10-02 US disclosed