SCHEMBL1459632

SCHEMBL1459632

NC(=O)CC[C@H](N)C(=O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALOX15 P16050 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
LTA4H P09960 8/20 0.43
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
SLC1A3 P43003 1/20 0.40
ELANE P08246 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL7780251 1.00 KMT2A (0.48) KMT2AALOX15BLMPMP22LTA4H
Sulfuric Acid SCHEMBL11047947 0.94 KMT2A (0.43) KMT2AALOX15BLMPMP22LTA4H
SCHEMBL6486886 0.88 CYP1A2 (0.47) ALOX15LTA4HATML3MBTL1CYP1A2
SCHEMBL6486889 0.88 CYP1A2 (0.47) ALOX15LTA4HATML3MBTL1CYP1A2
SCHEMBL29200122 0.87 KMT2A (0.40) KMT2AALOX15BLMPMP22LTA4H
SCHEMBL1810782 0.87 PRSS1 (0.47) KMT2ALTA4HATML3MBTL1PRSS1
Glutamine SCHEMBL29033841 0.84 ALOX15 (0.51) KMT2AALOX15BLMPMP22LTA4H
Ethylene Glycol SCHEMBL27914474 0.84 LTA4H (0.44) LTA4HATML3MBTL1CYP1A2CYP2D6
SCHEMBL7782165 0.83 L3MBTL1 (0.44) ATML3MBTL1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL7782168 0.83 L3MBTL1 (0.44) ATML3MBTL1SMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111406216-A Compounds, reagents and uses thereof 麦特博隆股份有限公司 2020-07-10 CN disclosed
EP-2823036-B1 METHOD OF DETERMINING TERATOGENIC RISK HOFFMANN LA ROCHE (CH) 2019-04-17 EP disclosed
US-20150133340-A1 METHOD OF DETERMINING TERATOGENIC RISK HOFFMANN-LA ROCHE INC. 2015-05-14 US disclosed
EP-2823036-A1 METHOD OF DETERMINING TERATOGENIC RISK F. Hoffmann-La Roche AG (CH) 2015-01-14 EP disclosed
WO-2013131841-A1 METHOD OF DETERMINING TERATOGENIC RISK F. HOFFMANN-LA ROCHE AG (CH) 2013-09-12 WO disclosed
WO-2011025514-A1 TRANSGENIC PLANTS WITH ENHANCED GROWTH CHARACTERISTICS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2011-03-03 WO disclosed
WO-2011025515-A1 PLANT GLUTAMINE PHENYLPYRUVATE TRANSAMINASE GENE AND TRANSGENIC PLANTS CARRYING SAME LOS ALAMOS NATIONAL SECURITY, LLC (US) 2011-03-03 WO disclosed
WO-2011025515-A1 PLANT GLUTAMINE PHENYLPYRUVATE TRANSAMINASE GENE AND TRANSGENIC PLANTS CARRYING SAME LOS ALAMOS NATIONAL SECURITY, LLC (US) 2011-03-03 WO disclosed
WO-2011025516-A1 NUCLEIC ACIDS ENCODING PLANT GLUTAMINE PHENYLPYRUVATE TRANSAMINASE (GPT) AND USES THEREOF LOS ALAMOS NATIONAL SECURITY, LLC (US) 2011-03-03 WO disclosed
CN-1155396-C Medicine for guiding cancer cell differentiation and its use in treating and preventing cancer 张铭烈 2004-06-30 CN disclosed
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed
CN-1172650-A Medicine for guiding cancer cell differentiation and its use in treating and preventing cancer ZHANG MINGLIE (CN) 1998-02-11 CN disclosed