SCHEMBL28411992

SCHEMBL28411992

CC(=O)c1cc(OCc2ccccc2)cc2c1OCC(C=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
CREBBP Q92793 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 1/20 0.37
HIF1A Q16665 2/20 0.37
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 2/20 0.36
NAAA Q02083 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL28991825 0.88 MEN1 (0.37) MAOBCREBBPMEN1KMT2AFFAR1
SCHEMBL28992050 0.88 MEN1 (0.37) MAOBCREBBPMEN1KMT2AFFAR1
SCHEMBL27668304 0.82 MAOB (0.47) MAOBCASP3SENP8SENP7SENP6
SCHEMBL27647872 0.81 MAOB (0.46) MAOBCASP3SENP8SENP7SENP6
SCHEMBL27770942 0.78 L3MBTL1 (0.46) MAOBCREBBPMEN1KMT2AMAPT
SCHEMBL560342 0.77 MAOB (0.48) MAOBCREBBPMEN1KMT2AMAOA
SCHEMBL29498303 0.77 MAOB (0.48) MAOBCREBBPMEN1KMT2AMAOA
SCHEMBL28543048 0.71 MAOB (0.46) MAOBCASP3SENP8SENP7SENP6
SCHEMBL631076 0.70 MAOB (0.48) MAOBCASP3SENP8SENP7SENP6
SCHEMBL28801679 0.69 TDP1 (0.35) CREBBPMEN1KMT2AFFAR1MAPT

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
CN-111298834-A Preparation method of pharmaceutical intermediate for department of respiration 孙桂霞 2020-06-19 CN claimed
CN-111298834-A Preparation method of pharmaceutical intermediate for department of respiration 孙桂霞 2020-06-19 CN disclosed
CN-111298834-A Preparation method of pharmaceutical intermediate for department of respiration 孙桂霞 2020-06-19 CN disclosed