SCHEMBL8977452

SCHEMBL8977452

COc1ccc([N+](=O)[O-])cc1NCC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.70
KMT2A Q03164 9/20 0.70
MAPT P10636 6/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
HTT P42858 3/20 0.67
CRHBP P24387 2/20 0.67
CRHR2 Q13324 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
GAA P10253 1/20 0.67
ALDH1A1 P00352 3/20 0.62
LMNA P02545 3/20 0.60
POLB P06746 2/20 0.60
MAPK1 P28482 2/20 0.60
NPSR1 Q6W5P4 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
CYP2C9 P11712 1/20 0.58
HPGD P15428 2/20 0.58

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
SCHEMBL11342106 0.88 MEN1 (0.68) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL623563 0.86 MEN1 (0.65) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11335718 0.83 KMT2A (0.63) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL11143572 0.82 KMT2A (0.64) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL10024453 0.80 MEN1 (0.65) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL9311420 0.80 CXCR2 (0.59) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL622250 0.80 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL27976139 0.79 SMN1; SMN2 (0.68) MEN1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL25438610 0.79 MEN1 (0.64) MEN1KMT2AMAPTSMN1; SMN2HTT
Oxalic Acid SCHEMBL20984422 0.79 MEN1 (0.65) MEN1KMT2AMAPTSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5587509-A Caged caboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-24 US disclosed
US-5430175-A Caged carboxyl compounds and use thereof CORNELL RESEARCH FOUNDATION, INC. (US) 1995-07-04 US disclosed
WO-1995015305-A1 CAGED CARVOXYL COMPOUNDS AND THEIR USE IN CHEMICAL KINETIC INVESTIGATION OF NEUROTRANSMITTER RECEPTORS CORNELL RESEARCH FOUNDATION, INC. (US) 1995-06-08 WO disclosed