SCHEMBL3969388

SCHEMBL3969388

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

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.65
TSHR P16473 1/20 0.65
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
CYP26A1 O43174 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
ATM Q13315 1/20 0.40
GRM8 O00222 1/20 0.39
GRM4 Q14833 1/20 0.39

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
SCHEMBL3969391 1.00 CYP1A2 (0.65) CYP1A2TSHRALDH1A1KMT2AHPGD
SCHEMBL4609123 0.94 CYP1A2 (0.62) CYP1A2TSHRALDH1A1KMT2AHPGD
SCHEMBL10350758 0.94 CYP1A2 (0.62) CYP1A2TSHRALDH1A1KMT2AHPGD
SCHEMBL6248795 0.94 CYP1A2 (0.62) CYP1A2TSHRALDH1A1KMT2AHPGD
SCHEMBL2299567 0.94 CYP1A2 (0.62) CYP1A2TSHRALDH1A1KMT2AHPGD
SCHEMBL6248802 0.94 CYP1A2 (0.62) CYP1A2TSHRALDH1A1KMT2AHPGD
SCHEMBL3663769 0.94 CYP1A2 (0.62) CYP1A2TSHRALDH1A1KMT2AHPGD
SCHEMBL3660414 0.94 CYP1A2 (0.62) CYP1A2TSHRALDH1A1KMT2AHPGD
SCHEMBL4609132 0.94 CYP1A2 (0.62) CYP1A2TSHRALDH1A1KMT2AHPGD
SCHEMBL3847837 0.94 CYP1A2 (0.62) CYP1A2TSHRALDH1A1KMT2AHPGD

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-107090486-B Articles and methods for detecting target microorganisms 3M创新有限公司 2021-09-03 CN disclosed
WO-2009002480-A9 ACYL TRANSFERASE HAVING ALTERED SUBSTRATE SPECIFICITY DANISCO US INC GENENCOR DIV (US) 2009-04-09 WO disclosed
WO-2009002480-A2 ACYL TRANSFERASE HAVING ALTERED SUBSTRATE SPECIFICITY DANISCO US, INC., GENENCOR DIVISION (US) 2008-12-31 WO disclosed
WO-1998046770-A9 STABLE BIOCATALYSTS FOR ESTER HYDROLYSIS 1999-03-18 WO disclosed