SCHEMBL5716962

SCHEMBL5716962

C=CCCC=CCCOC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
USP2 O75604 3/20 0.44
LMNA P02545 3/20 0.44
CYP3A4 P08684 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 1/20 0.44
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 6/20 0.40
HPGD P15428 1/20 0.39
CHRM5 P08912 2/20 0.39
CHRM1 P11229 2/20 0.39
CHRM3 P20309 2/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
TBXA2R P21731 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39

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
SCHEMBL5716961 1.00 SMN1; SMN2 (0.44) SMN1; SMN2USP2LMNACYP3A4MAPT
SCHEMBL9717827 0.88 MAPT (0.53) SMN1; SMN2USP2LMNACYP3A4MAPT
SCHEMBL9717823 0.88 MAPT (0.53) SMN1; SMN2USP2LMNACYP3A4MAPT
SCHEMBL506184 0.87
SCHEMBL1906626 0.87 ALDH1A1 (0.50) SMN1; SMN2USP2LMNACYP3A4MAPT
SCHEMBL1906628 0.87 ALDH1A1 (0.50) SMN1; SMN2USP2LMNACYP3A4MAPT
SCHEMBL834439 0.86 MAPT (0.59) SMN1; SMN2USP2LMNACYP3A4MAPT
SCHEMBL11490209 0.86 MAPT (0.59) SMN1; SMN2USP2LMNACYP3A4MAPT
SCHEMBL6135463 0.86 MAPT (0.59) SMN1; SMN2USP2LMNACYP3A4MAPT
SCHEMBL28666581 0.86 MAPT (0.59) SMN1; SMN2USP2LMNACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937023-B2 PROCESS FOR THE PREPARATION OF AN ALDEHYDE DSM IP ASSETS BV (NL) 2006-02-08 EP disclosed
EP-0937023-B1 PROCESS FOR THE PREPARATION OF AN ALDEHYDE DSM NV (NL) 2001-10-04 EP disclosed
US-6153800-A HYDROFORMYLATION OF UNSATURATED ORGANIC COMPOUNDS IN THE PRESENCE OF PHOSPHITE LIGANDS AND MONODENTATE PHOSPHINE DSM N.V. (NL) 2000-11-28 US disclosed
EP-0888274-B1 Process to prepare a terminal aldehyde and catalyst DSM NV (NL) 2000-09-06 EP disclosed
US-6018081-A HYDROFORMYLATION OF AN UNSATURATED COMPOUND WITH CARBON MONOXIDE AND HYDROGEN IN THE PRESENCE OF A CATATYST SYSTEM COMPRISING IRIDIUM OR RHODIUM AND BIDENTATE ORGANIC PHOSPHITE LIGAND OF GIVEN FORMULA; CATALYST SELECTIVITY DSM N.V. (NL) 2000-01-25 US disclosed
US-5874641-A HYDROFORMYLATION CATALYST COMPRISING RHODIUM AND A BIDENTATE PHOSPHITE LIGAND HAVING A 2,2'-DIHYDROXYL-1,1'-BINAPHTHALENE BRIDGE; REACTING CARBON MONOXIDE AND HYDROGEN WITH UNSATURATED HYDROCARBONS, NITRILES OR ESTERS; SELECTIVITY DSM N.V. (NL) 1999-02-23 US disclosed
EP-0839787-A1 Process for the preparation of an aldehyde DSM N.V. (NL) 1998-05-06 EP disclosed