SCHEMBL28533874

SCHEMBL28533874

CC(C)OC(=O)c1ccc([N+](=O)[O-])cc1O.OP(O)(O)=S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.55
CA1 P00915 4/20 0.55
CA2 P00918 4/20 0.55
CA7 P43166 4/20 0.55
CA9 Q16790 4/20 0.55
CA14 Q9ULX7 4/20 0.55
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
GPR35 Q9HC97 2/20 0.42

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
SCHEMBL28536038 0.93 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL28529525 0.82 ALDH1A1 (0.46) CA12CA1CA2CA7CA9
SCHEMBL6566905 0.82 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL28529528 0.80 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTSMN1; SMN2L3MBTL1
SCHEMBL19117 0.77 GAA (0.60) CA12CA1CA2CA7CA9
SCHEMBL16392517 0.77 CYP19A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL10879334 0.76 CRHBP (0.56) ALDH1A1KMT2AMAPTSMN1; SMN2KDM4E
SCHEMBL231452 0.75 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL2236400 0.75 GPR35 (0.56) CA12CA9ALDH1A1KMT2AMAPT
SCHEMBL16423530 0.73 ALDH1A1 (0.51) ALDH1A1KMT2AMAPTSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480167-B Isocarbophos hapten, artificial antigen and antibody as well as preparation method and application thereof 北京勤邦生物技术有限公司 2022-07-08 CN claimed
CN-112480167-A Isocarbophos hapten, artificial antigen and antibody, and preparation method and application thereof 北京勤邦生物技术有限公司 2021-03-12 CN claimed
CN-112480167-B Isocarbophos hapten, artificial antigen and antibody as well as preparation method and application thereof 北京勤邦生物技术有限公司 2022-07-08 CN disclosed
CN-112595844-A Test strip and method for detecting isocarbophos 北京勤邦生物技术有限公司 2021-04-02 CN disclosed
CN-112480167-A Isocarbophos hapten, artificial antigen and antibody, and preparation method and application thereof 北京勤邦生物技术有限公司 2021-03-12 CN disclosed