SCHEMBL2153152

SCHEMBL2153152

NCCN(CCO)CC(=O)O.[KH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 2/20 0.52
PMP22 Q01453 2/20 0.52
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
CHRM2 P08172 1/20 0.52
ADRA2A P08913 1/20 0.52
DRD1 P21728 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
DRD3 P35462 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
EYA2 O00167 1/20 0.48
APP P05067 1/20 0.48
ACE P12821 1/20 0.48

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
SCHEMBL526346 0.98 BLM (0.54) BLMTDP1KDM4EALOX15PMP22
SCHEMBL2153100 0.96 TDP1 (0.52) BLMTDP1KDM4EALOX15PMP22
Nitrilotriacetic Acid SCHEMBL21296993 0.91 TDP1 (0.54) BLMTDP1KDM4EALOX15PMP22
SCHEMBL676801 0.89 BLM (0.65) BLMTDP1KDM4EALOX15PMP22
Bicine SCHEMBL867955 0.86 TDP1 (0.56) BLMTDP1KDM4EALOX15PMP22
Hydrochloric Acid SCHEMBL9406491 0.86 BLM (0.62) BLMTDP1KDM4EALOX15PMP22
Bicine SCHEMBL177696 0.86 ALOX15 (0.68) BLMTDP1KDM4EALOX15PMP22
Bicine SCHEMBL34161 0.86 ALOX15 (0.68) BLMTDP1KDM4EALOX15PMP22
SCHEMBL8336293 0.84 ALOX15 (0.75) BLMTDP1KDM4EALOX15PMP22
SCHEMBL3416374 0.84 TDP1 (0.75) BLMTDP1KDM4EALOX15PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519587-A1 PHENYL-CONTAINING ORGANOPOLYSILOXANE COMPOSITION, RAW COSMETIC MATERIAL, AND GLOSSY COSMETIC MATERIAL Dow Corning Toray Co., Ltd. (JP) 2012-11-07 EP disclosed
WO-2011081218-A1 PHENYL-CONTAINING ORGANOPOLYSILOXANE COMPOSITION, RAW COSMETIC MATERIAL, AND GLOSSY COSMETIC MATERIAL DOW CORNING TORAY CO., LTD. (JP) 2011-07-07 WO disclosed