SCHEMBL27517455

SCHEMBL27517455

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

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
MAPT P10636 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
CTSD P07339 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ALPL P05186 1/20 0.46
GAA P10253 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46

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
SCHEMBL28001105 0.84 ALDH1A1 (0.53) ALDH1A1MAPTNPSR1CTSDSMN1; SMN2
SCHEMBL2706439 0.83 ALDH1A1 (0.59) ALDH1A1MAPTNPSR1CTSDSMN1; SMN2
SCHEMBL17202783 0.83 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1CTSDSMN1; SMN2
SCHEMBL16396659 0.83 ALDH1A1 (0.47) ALDH1A1MAPTNPSR1CTSDSMN1; SMN2
SCHEMBL19309716 0.81 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1CTSDSMN1; SMN2
SCHEMBL1628128 0.80 ALDH1A1 (0.58) ALDH1A1MAPTCTSDSMN1; SMN2HTT
SCHEMBL1628124 0.80 ALDH1A1 (0.58) ALDH1A1MAPTCTSDSMN1; SMN2HTT
SCHEMBL195311 0.80 ALDH1A1 (0.62) ALDH1A1MAPTNPSR1CTSDSMN1; SMN2
SCHEMBL28230887 0.79 ALDH1A1 (0.54) ALDH1A1MAPTNPSR1CTSDSMN1; SMN2
SCHEMBL25303053 0.79 PKM (0.46) ALDH1A1MAPTNPSR1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102736411-B Photosensitive resin composition, and color filter and liquid crystal display device using same CHI MEI CORP. (CN) 2014-10-15 CN claimed
CN-116640094-A Compounds as PRMT1 inhibitors and uses thereof 南京圣和药业股份有限公司 2023-08-25 CN disclosed
CN-104284942-B Stable artificial lens polymerism ultraviolet radiation absorption pigment 兴和株式会社 2016-09-07 CN disclosed
CN-104693211-A Imidazole derivative as antiviral agent and pharmaceutical application thereof NANJING MINGDE NEW DRUG RES AND DEV CO LTD 2015-06-10 CN disclosed
CN-104428292-A Phenylalkyl sulfamate compound and muscle relaxant composition comprising same BIO PHARM SOLUTIONS CO LTD 2015-03-18 CN disclosed
CN-102736411-B Photosensitive resin composition, and color filter and liquid crystal display device using same CHI MEI CORP. (CN) 2014-10-15 CN disclosed
CN-103809373-A Photosensitive resin composition, color filter formed from the same, and liquid crystal display device CHI MEI CORP 2014-05-21 CN disclosed
CN-103713469-A Photosensitive resin composition for color filter and use thereof CHI MEI CORP 2014-04-09 CN disclosed
CN-100529842-C Highly safe silicone-containing material for ocular lens and process for producing the same MENICON CO LTD (JP) 2009-08-19 CN disclosed
CN-100432055-C Tricyclic protein kinase inhibitors WYETH CORP (US) 2008-11-12 CN disclosed
CN-1262541-C Tricyclic protein kinase inhibitors WYETH CORP (US) 2006-07-05 CN disclosed
CN-1723411-A High-safety ophthalmic lens material containing silicone and method for producing same MENICON CO LTD (JP) 2006-01-18 CN disclosed
CN-1704404-A Tricyclic protein kinase inhibitors WYETH CORP (US) 2005-12-07 CN disclosed
CN-1437584-A Tricyclic protein kinase inhibitors WYETH CORP (US) 2003-08-20 CN disclosed