SCHEMBL2273708

SCHEMBL2273708

C=C(C)COCCCOc1ccc(C(C)(C)c2ccc(OCCCOCC(=C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 9/20 0.45
ALDH1A1 P00352 8/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
HTT P42858 1/20 0.45
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL1833168 0.92 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5954197 0.85 MEN1 (0.42) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL203601 0.83 SMN1; SMN2 (0.49) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL12566176 0.79 NR5A1 (0.56) HTTPOLBGAATDP1
SCHEMBL7623776 0.79 POLB (0.58) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL7631164 0.79 POLB (0.58) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL165289 0.78 SMN1; SMN2 (0.51) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL15348 0.78 HTT (0.56) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL17159498 0.77 POLB (0.53) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL9499699 0.77 HTT (0.59) ALDH1A1HTTPOLBTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060115644-A1 Modified porous materials and method of forming the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-01 US claimed
US-6979702-B1 Ionomer composite compositions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-12-27 US claimed
US-11650498-B2 Printable compositions including highly viscous components and methods of creating 3D articles therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-05-16 US disclosed
US-11553996-B2 Radiation curable compositions and composite articles made using an additive manufacturing process 3M INNOVATIVE PROPERTIES COMPANY (US) 2023-01-17 US disclosed
US-20200197138-A1 RADIATION CURABLE COMPOSITIONS AND COMPOSITE ARTICLES MADE USING AN ADDITIVE MANUFACTURING PROCESS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2020-06-25 US disclosed
US-20190163060-A1 PRINTABLE COMPOSITIONS INCLUDING HIGHLY VISCOUS COMPONENTS AND METHODS OF CREATING 3D ARTICLES THEREFROM SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2019-05-30 US disclosed
US-8568769-B2 Particle-containing complex porous materials THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-10-29 US disclosed
US-20120301516-A1 PARTICLE- CONTAINING COMPLEX POROUS MATERIALS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-11-29 US disclosed
US-7993738-B2 Stabilizing biological macromolecules by crosslinking a gelatin-inorganic (hydroxyapatite, calcium phosphate or calcium sulfate) composite with ethyl-3-(3-dimethylaminopropyl)carbodiimide HCl and N-hydroxy-succinimide THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-08-09 US disclosed
US-20080213564-A1 MODIFIED POROUS MATERIALS AND METHOD OF FORMING THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-04 US disclosed
US-7323208-B2 Modified porous materials and method of forming the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-01-29 US disclosed
US-20060115644-A1 Modified porous materials and method of forming the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-01 US disclosed
US-6979702-B1 Ionomer composite compositions THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-12-27 US disclosed