SCHEMBL28808690

SCHEMBL28808690

O=C(Nc1ccccc1N1CCOCC1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C19 P33261 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.61
KDM1A O60341 3/20 0.58
MAOA P21397 3/20 0.58
MAOB P27338 3/20 0.58
KDM1B Q8NB78 3/20 0.58
RCOR1 Q9UKL0 3/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
F10 P00742 1/20 0.55
KCNQ2 O43526 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
TSHR P16473 2/20 0.54
HPGD P15428 1/20 0.54
MAPK10 P53779 1/20 0.54

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
SCHEMBL19084698 0.86 KDM1A (0.67) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL28032896 0.85 LMNA (0.65) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL15777298 0.84 KDM1A (0.68) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL17302737 0.81 KDM1A (0.61) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL78438 0.81 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2KDM1AMAOAMAOB
SCHEMBL27922280 0.81 F10 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL4326786 0.80 ALDH1A1 (0.70) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL30771563 0.79 NPC1 (0.61) ALDH1A1SMN1; SMN2KDM1AMAOAMAOB
SCHEMBL2152084 0.79 NPC1 (0.61) ALDH1A1SMN1; SMN2KDM1AMAOAMAOB
SCHEMBL20911014 0.79 ALDH1A1 (0.69) ALDH1A1CYP1A2CYP3A4CYP2C19SMN1; SMN2

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-115902018-A Detection method of linezolid isomer 江苏晨牌药业集团股份有限公司 2023-04-04 CN disclosed
CN-103709116-B A kind of preparation method of 4-(4-alkoxycarbonylamino) phenyl-3-morpholone mai SICHUAN UNIVERSITY (CN) 2015-09-23 CN disclosed
CN-103709116-A Preparation method for 4-(4-alkoxycarbonylamino)phenyl-3-morpholine UNIV SICHUAN 2014-04-09 CN disclosed