SCHEMBL4552495

SCHEMBL4552495

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2[PH](C2CCCCC2)(C2CCCCC2)C2CCCCC2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
EBP Q15125 1/20 0.33
DHCR7 Q9UBM7 1/20 0.33
HRH3 Q9Y5N1 3/20 0.33
EPHX2 P34913 5/20 0.32
PSMB5 P28074 1/20 0.31
NR1I2 O75469 1/20 0.30
KDM4B O94953 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
DOHH Q9BU89 1/20 0.30

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
SCHEMBL7759488 0.84 TAS1R3 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL19442592 0.76 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL20980046 0.73 EPHX2 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL920182 0.70 TAS1R3 (0.36) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL1011133 0.69 POLB (0.42) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL10029427 0.69 HRH3 (0.37) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL20049839 0.69 MEN1 (0.33) ALDH1A1MAPTMEN1KMT2A
SCHEMBL23087149 0.68 HRH3 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL21959258 0.68 HRH3 (0.36) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL21562371 0.67 ALDH1A1 (0.36) ALDH1A1POLBMAPTHTTSMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004519566-A 2004-07-02 JP claimed
EP-1363967-A2 IMPROVED FIBER SUBSTRATE ADHESION AND COATINGS BY METATHESIS POLYMERIZATION Lord Corporation (US) 2003-11-26 EP claimed
WO-2002077078-A2 IMPROVED FIBER SUBSTRATE ADHESION AND COATINGS BY METATHESIS POLYMERIZATION LORD CORPORATION (US) 2002-10-03 WO claimed
WO-2001072421-A1 POLYMER SUPPORTED CATALYSTS FOR OLEFIN METATHESIS GLAXO GROUP LIMITED (GB) 2001-10-04 WO claimed
EP-4367109-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES Firmenich SA (CH) 2024-05-15 EP disclosed
WO-2023036732-A1 PROCESS FOR PREPARING PERFUMING INTERMEDIATES FIRMENICH SA (CH) 2023-03-16 WO disclosed
WO-2014022752-A1 MACROCYCLES AS PIM INHIBITORS AMGEN INC. (US) 2014-02-06 WO disclosed
EP-2089020-A1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-19 EP disclosed
WO-2008064057-A1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO disclosed
EP-1817097-A2 MEMBRANE SEPARATION OF A METATHESIS REACTION MIXTURE Dow Gloval Technologies Inc. (US) 2007-08-15 EP disclosed
WO-2006047105-A2 MEMBRANE SEPARATION OF A METATHESIS REACTION MIXTURE DOW GLOBAL TECHNOLOGIES, INC. (US) 2006-05-04 WO disclosed
WO-2006045070-A2 PEG-SUBSTITUTED PYRIDINE LIGANDS AND RELATED WATER-SOLUBLE CATALYSTS UNIVERSITY OF MASSACHUSETTS (US) 2006-04-27 WO disclosed
EP-1450784-A4 HSP90-INHIBITING ZEARALANOL COMPOUNDS AND METHODS OF PRODUCING AND USING SAME CONFORMA THERAPEUTICS CORP (US) 2005-02-09 EP disclosed
EP-1450784-A2 HSP90-INHIBITING ZEARALANOL COMPOUNDS AND METHODS OF PRODUCING AND USING SAME Conforma Therapeutics Corporation (US) 2004-09-01 EP disclosed
EP-1434816-A1 CONTACT METATHESIS POLYMERIZATION Lord Corporation (US) 2004-07-07 EP disclosed
WO-2003041643-A2 HSP90-INHIBITING ZEARALANOL COMPOUNDS AND METHODS OF PRODUCING AND USING SAME CONFORMA THERAPEUTICS CORPORATION (US) 2003-05-22 WO disclosed
WO-2003031505-A1 CONTACT METATHESIS POLYMERIZATION LORD CORPORATION (US) 2003-04-17 WO disclosed
WO-2001072421-A1 POLYMER SUPPORTED CATALYSTS FOR OLEFIN METATHESIS GLAXO GROUP LIMITED (GB) 2001-10-04 WO disclosed