SCHEMBL19854872

SCHEMBL19854872

COC(=O)CCCC(C)COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
FOLH1 Q04609 1/20 0.46
GHSR Q92847 2/20 0.45
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
SLC1A1 P43005 1/20 0.42
MME P08473 1/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TACR1 P25103 1/20 0.41
LTA4H P09960 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
SCHEMBL27710469 0.92 KDM4E (0.49) LMNAKDM4EALDH1A1FOLH1GHSR
SCHEMBL7179932 0.87 FOLH1 (0.52) FOLH1KMT2AHTTMMP9MMP14
SCHEMBL11081443 0.86 FOLH1 (0.45) ALDH1A1FOLH1KMT2AHTTMMP9
SCHEMBL6955298 0.84 FOLH1 (0.44) LMNAKDM4EALDH1A1FOLH1GHSR
SCHEMBL20233630 0.82 KMT2A (0.47) LMNAKDM4EALDH1A1FOLH1KMT2A
SCHEMBL27487295 0.82 LMNA (0.48) LMNAKDM4EALDH1A1KMT2ACA7
SCHEMBL5870182 0.81 FOLH1 (0.58) ALDH1A1FOLH1KMT2AHTTSLC1A1
SCHEMBL18868656 0.80 KMT2A (0.43) LMNAKDM4EALDH1A1FOLH1GHSR
SCHEMBL4109675 0.79 LMNA (0.54) LMNAKDM4EALDH1A1HTTCA7
SCHEMBL27694647 0.79 CA1 (0.47) KDM4EKMT2AHTTSLC1A1CA7

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
CN-1355784-A Mono-and disubstituted 3-propyl-gamma-aminobutyric acids WARNER LAMBERT CO (US) 2002-06-26 CN claimed
WO-2018026763-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2018-02-08 WO disclosed
CN-101862317-A The pregabalin derivant that is used for the treatment of fibromyalgia and other disease WARNER LAMBERT CO 2010-10-20 CN disclosed
CN-101283995-A Different pharmaceutical uses alpha2delta ligands WARNER LAMBERT CO (US) 2008-10-15 CN disclosed
CN-1310872-C Mono- and disubstituted 3-propyl gamma-aminobutyric acids WARNER LAMBERT CO (US) 2007-04-18 CN disclosed
CN-1878546-A Combination comprising an alpha-2 delta ligand and an SSRI and/or SNRI for the treatment of depression and anxiety WARNER LAMBERT CO (US) 2006-12-13 CN disclosed
CN-1726015-A Alpha 2 delta ligands for different pharmaceutical uses WARNER LAMBERT CO (US) 2006-01-25 CN disclosed
CN-1726023-A Pregabalin derivatives for the treatment of fibromyalgia and other diseases WARNER LAMBERT CO (US) 2006-01-25 CN disclosed
CN-1678298-A Use of an alpha2delta ligand such as gabapentin or pregabalin for treating ttention deficit hyperactivity disorder WARNER LAMBERT CO (US) 2005-10-05 CN disclosed
CN-1660779-A Mono- and disubstituted 3-propyl gamma-aminobutyric acids WARNER LAMBERT CO (US) 2005-08-31 CN disclosed
CN-1625393-A Alpha 2 delta ligands to treat tinnitus WARNER LAMBERT CO (US) 2005-06-08 CN disclosed
CN-1196671-C Mono-and disubstituted 3-propyl-gamma-aminobutyric acids WARNER LAMBERT CO (US) 2005-04-13 CN disclosed
CN-1355784-A Mono-and disubstituted 3-propyl-gamma-aminobutyric acids WARNER LAMBERT CO (US) 2002-06-26 CN disclosed