SCHEMBL9012985

SCHEMBL9012985

CCO[Si](OCC)(OCC)OC(=O)CCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.50
PAOX Q6QHF9 4/20 0.41
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
LMNA P02545 4/20 0.38
THRB P10828 3/20 0.38
BLM P54132 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
PLG P00747 1/20 0.38
ALOX15 P16050 1/20 0.38
SLC6A2 P23975 1/20 0.38
RECQL P46063 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CPB2 Q96IY4 1/20 0.33
DGKA P23743 1/20 0.33
TSHR P16473 2/20 0.31
GABRR3 A8MPY1 1/20 0.31

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
SCHEMBL29170620 0.94 CYP1A2 (0.57) CYP1A2PAOXCYP2D6NFKB1LMNA
SCHEMBL5178804 0.85 DGKA (0.48) LMNAALDH1A1DGKATSHRPAM
SCHEMBL29168774 0.83 DGKA (0.52) LMNAKMT2AALDH1A1MEN1ALOX15
SCHEMBL1517686 0.83 DGKA (0.52) LMNAKMT2AALDH1A1MEN1ALOX15
SCHEMBL28026117 0.82 CES1 (0.41) CYP1A2LMNAALDH1A1DGKATSHR
SCHEMBL28286997 0.81 DGKA (0.50) LMNAKMT2AALDH1A1MEN1ALOX15
SCHEMBL28293756 0.81 DGKA (0.50) LMNAKMT2AALDH1A1MEN1ALOX15
SCHEMBL6243475 0.79 DGKA (0.52) LMNAKMT2AALDH1A1MEN1ALOX15
SCHEMBL3918624 0.78 ALDH1A1 (0.48) CYP1A2LMNAALDH1A1DGKATSHR
SCHEMBL28098280 0.78 CYP1A2 (0.34) CYP1A2LMNAALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113150663-A Preparation method of water-based polyurea-based expanded steel structure fireproof coating 华阳新材料科技集团有限公司 2021-07-23 CN claimed
CN-113150663-A Preparation method of water-based polyurea-based expanded steel structure fireproof coating 华阳新材料科技集团有限公司 2021-07-23 CN disclosed
CN-113150663-A Preparation method of water-based polyurea-based expanded steel structure fireproof coating 华阳新材料科技集团有限公司 2021-07-23 CN disclosed
EP-0473448-B1 Electrophotographic imaging member XEROX CORP (US) 1996-12-04 EP disclosed
US-5166381-A Blocking layer for photoreceptors XEROX CORPORATION (US) 1992-11-24 US disclosed
EP-0473448-A1 Electrophotographic imaging member XEROX CORPORATION (US) 1992-03-04 EP disclosed
US-5091278-A BLOCKING LAYER FOR PHOTORECEPTORS XEROX CORPORATION (US) 1992-02-25 US disclosed