SCHEMBL4775722

SCHEMBL4775722

CCCCCC(O)(O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
GAA P10253 1/20 0.46
SCN5A Q14524 3/20 0.42
SCN9A Q15858 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ATM Q13315 1/20 0.42
CHRM2 P08172 4/20 0.41
CHRM3 P20309 4/20 0.41
CHRM4 P08173 3/20 0.41
CHRM5 P08912 3/20 0.41
CHRM1 P11229 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KIF11 P52732 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 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
SCHEMBL28187244 0.98 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9AMEN1
SCHEMBL6471777 0.98 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9AMEN1
SCHEMBL28187243 0.98 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9AMEN1
SCHEMBL9782412 0.98 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9AMEN1
Benzene SCHEMBL27446323 0.94 SIGMAR1 (0.44) SIGMAR1GAASCN5ASCN9AMEN1
SCHEMBL8935459 0.94 SIGMAR1 (0.44) SIGMAR1GAAMEN1KMT2ACHRM2
SCHEMBL7459315 0.85 SMN1; SMN2 (0.44) SIGMAR1GAAMEN1KMT2ACHRM2
SCHEMBL28718402 0.83 SIGMAR1 (0.47) SIGMAR1GAASCN5ASCN9AMEN1
SCHEMBL11413546 0.82 SIGMAR1 (0.64) SIGMAR1GAASCN5ASCN9ACHRM2
SCHEMBL3809940 0.82 SIGMAR1 (0.46) SIGMAR1GAASCN5ASCN9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117447309-A Multi-carbon bridged phenol compound prepared from phenol and polyalcohol compound and synthesis method 薪业资源(江苏)科技有限公司 2024-01-26 CN disclosed
WO-2023286509-A1 ORGANIC BINDER, COMPOSITION FOR PRODUCING INORGANIC MATERIAL MOLDED ARTICLE, GREEN BODY, DELIPIDATION BODY, INORGANIC MATERIAL MOLDED ARTICLE, AND INORGANIC MATERIAL MOLDED ARTICLE PRODUCTION METHOD 株式会社クレハ 2023-01-19 WO disclosed
WO-2008080832-A2 CARBONITRIDES AS CATALYSTS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-07-10 WO disclosed
EP-1941946-A1 Carbonitrides as catalysts Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-07-09 EP disclosed