SCHEMBL6569501

SCHEMBL6569501

CCCC(CC(C)C)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.41
EPHX1 P07099 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MMP1 P03956 2/20 0.31
MMP9 P14780 2/20 0.31
MMP14 P50281 2/20 0.31
BCHE P06276 1/20 0.31
CYP1A2 P05177 1/20 0.31
MMP2 P08253 3/20 0.31
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
MMP3 P08254 1/20 0.31
TP53 P04637 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
SCHEMBL7085146 0.86 SHBG (0.40) SHBGEPHX1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL23522672 0.84 SHBG (0.50) SHBGEPHX1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL28691861 0.83 SHBG (0.50) SHBGEPHX1ALDH1A1MMP1MMP9
SCHEMBL29016515 0.82 SHBG (0.46) SHBGEPHX1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1094949 0.80 SHBG (0.52) SHBGEPHX1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL7761672 0.80 SHBG (0.52) SHBGEPHX1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9209307 0.78 SHBG (0.48) SHBGEPHX1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL10082047 0.77 SHBG (0.36) SHBGEPHX1SMN1; SMN2
SCHEMBL16703627 0.77 SHBG (0.43) SHBGEPHX1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL19175664 0.77 SHBG (0.43) SHBGEPHX1SMN1; SMN2ALDH1A1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404325-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2004-04-07 EP disclosed
WO-2002096420-A2 METHOD FOR TREATING NERVE INJURY CAUSED BY SURGERY GUILFORD PHARMACEUTICALS INC. (US) 2002-12-05 WO disclosed
EP-1127049-A1 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL Holdings, Inc. (US) 2001-08-29 EP disclosed
EP-1011650-A1 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS Amgen Inc., (US) 2000-06-28 EP disclosed
WO-2000016603-A2 BRIDGED HETEROCYCLIC DERIVATIVES GPI NIL HOLDINGS, INC. (US) 2000-03-30 WO disclosed
WO-1999014998-A2 METHOD FOR PREVENTING AND TREATING HEARING LOSS USING SENSORINEUROTROPHIC COMPOUNDS AMGEN INC. (US) 1999-04-01 WO disclosed