SCHEMBL5581649

SCHEMBL5581649

COC1(C(=O)O)C=CC=C(c2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL27668615 0.81 NPC1 (0.32) NPC1RAB9ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL27957338 0.80 CHRM2 (0.36) SLC6A3SLC6A2CHRM2CHRM4CHRM5
SCHEMBL3454133 0.77 MEN1 (0.37) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL27738888 0.77 NPC1 (0.37) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL2523549 0.76 HDAC1 (0.33) SLC6A3NPC1RAB9AALDH1A1LMNA
SCHEMBL28737053 0.76 MEN1 (0.39) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL4619747 0.76 HDAC4 (0.33) NPC1RAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL11315463 0.76 NPC1 (0.33) NPC1RAB9AALDH1A1LMNAHPGD
SCHEMBL6276886 0.75 HSD11B1 (0.35) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL19744662 0.75 MEN1 (0.41) SLC6A3SLC6A2SLC6A4NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007519744-A 2007-07-19 JP claimed
CN-1938323-A Silinane compounds as cysteine protease inhibitors SCHERING AG (DE) 2007-03-28 CN claimed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP claimed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO claimed
CN-1938323-A Silinane compounds as cysteine protease inhibitors SCHERING AG (DE) 2007-03-28 CN disclosed
EP-1716158-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS Schering Aktiengesellschaft (DE) 2006-11-02 EP disclosed
WO-2005074904-A2 SILINANE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 2005-08-18 WO disclosed
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP disclosed