SCHEMBL27905940

SCHEMBL27905940

CCCCC(O)C(=O)OC(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CASR P41180 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 3/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3620199 0.85 L3MBTL1 (0.52) ALDH1A1CASRL3MBTL1CYP1A2TSHR
SCHEMBL8859457 0.82 ALDH1A1 (0.45) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL13347474 0.80 ALDH1A1 (0.59) ALDH1A1CYP1A2TSHRKMT2AGAA
SCHEMBL27889292 0.80 CTSL (0.47) ALDH1A1CYP1A2TSHRKMT2AGAA
SCHEMBL10400828 0.79 ALDH1A1 (0.49) ALDH1A1L3MBTL1CYP1A2TSHRKMT2A
SCHEMBL7719022 0.78 KMT2A (0.54) ALDH1A1CASRCYP1A2TSHRKMT2A
SCHEMBL14503207 0.78 ALDH1A1 (0.52) ALDH1A1CASRCYP1A2TSHRKMT2A
SCHEMBL5583434 0.78 ALDH1A1 (0.56) ALDH1A1CASRCYP1A2TSHRGAA
Propane SCHEMBL542088 0.77 ALDH1A1 (0.51) ALDH1A1CASRCYP1A2TSHRKMT2A
SCHEMBL9056702 0.76 MGLL (0.51) ALDH1A1KMT2AGAAHPGDTP53

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
CN-102898464-B Photosensitive group-protected functional group phosphoramidite and its preparation method and use UNIV BEIJING 2015-04-01 CN claimed
CN-102898464-A Photosensitive group-protected functional group phosphoramidite and its preparation method and use UNIV BEIJING 2013-01-30 CN claimed
CN-102898464-B Photosensitive group-protected functional group phosphoramidite and its preparation method and use UNIV BEIJING 2015-04-01 CN disclosed
CN-102898464-A Photosensitive group-protected functional group phosphoramidite and its preparation method and use UNIV BEIJING 2013-01-30 CN disclosed