SCHEMBL9720642

SCHEMBL9720642

C=Cc1ccccc1C(=O)CC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ABCB1 P08183 4/20 0.39
HSP90AB1 P08238 1/20 0.39
CYP3A4 P08684 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38
PDK2 Q15119 1/20 0.38
KMT2A Q03164 1/20 0.37
HMGCR P04035 1/20 0.37
TP53 P04637 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL19971521 0.85 ALDH1A1 (0.46) MAPTSMN1; SMN2L3MBTL1CYP3A4ALDH1A1
SCHEMBL8579597 0.84 L3MBTL1 (0.42) MAPTSMN1; SMN2L3MBTL1ABCB1HSP90AB1
SCHEMBL28825380 0.84 HSP90AB1 (0.36) MAPTSMN1; SMN2L3MBTL1ABCB1HSP90AB1
SCHEMBL10871342 0.82 L3MBTL1 (0.41) MAPTSMN1; SMN2L3MBTL1ABCB1HSP90AB1
SCHEMBL97144 0.82 KMT2A (0.46) MAPTSMN1; SMN2L3MBTL1ABCB1HSP90AB1
SCHEMBL6342612 0.82 CYP3A4 (0.40) MAPTSMN1; SMN2CYP3A4ALDH1A1HPGD
SCHEMBL5369405 0.81 ERCC5 (0.39) MAPTL3MBTL1CYP3A4ALDH1A1HPGD
SCHEMBL10623096 0.81 PTPN1 (0.50) MAPTCYP3A4ALDH1A1HPGDTSHR
SCHEMBL7515781 0.81 ALDH1A1 (0.45) MAPTSMN1; SMN2CYP3A4ALDH1A1HPGD
SCHEMBL28713351 0.81 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDTSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026512-A2 INHIBITORS OF MYC AND USES THEREOF NORTHWESTERN UNIVERSITY (US) 2024-02-01 WO disclosed
CN-105601627-B Heteroaryl piperidine and heteroaryl based piperazine derivative as fungicide 拜耳作物科学股份公司 2019-04-09 CN disclosed
CN-103180317-B Heteroarylpiperidine and piperazine derivatives as fungicides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-23 CN disclosed
CN-102781937-B As two (difluoromethyl) pyrazoles of sterilant BAYER CROPSCIENCE AG (DE) 2015-09-30 CN disclosed
CN-103180317-A Heteroarylpiperidine and piperazine derivatives as fungicides BAYER IP GMBH 2013-06-26 CN disclosed
CN-102781937-A Bis(difluormethyl)pyrazoles used as fungicides BAYER CROPSCIENCE AG 2012-11-14 CN disclosed
CN-1310707-C Method for producing strongly adherent coatings CIBA SC HOLDING AG (CH) 2007-04-18 CN disclosed
CN-1622862-A Method for producing strongly adherent coatings CIBA SC HOLDING AG (CH) 2005-06-01 CN disclosed
US-5103022-A Reacting dl-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino -1-propanone with l-acetylphenylglycine to form corresponding diastereomeric salt, deposition, isolation of l-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino-1-propanone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-04-07 US disclosed
US-5057535-A Muscle relaxants NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-10-15 US disclosed
EP-0200942-A2 New derivatives of an aminoketone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1986-11-12 EP disclosed