SCHEMBL28628208

SCHEMBL28628208

CCCCC(Cl)C#N.N#Cc1cc(Cl)c(O)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.36
TTR P02766 2/20 0.36
ALB P02768 2/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL4897669 0.75 TTR (0.52) TTRALBMEN1KMT2ACYP19A1
SCHEMBL10911084 0.75
Water SCHEMBL10768309 0.75 TTR (0.52) TTRALBMEN1KMT2ACYP19A1
SCHEMBL136860 0.75 TTR (0.52) TTRALBMEN1KMT2ACYP19A1
SCHEMBL27336252 0.73
SCHEMBL22005121 0.72 TTR (0.37) TTRALBMEN1KMT2ACYP19A1
Butyric Acid SCHEMBL10763142 0.71 FFAR3 (0.42) ESR1TTRALBMEN1KMT2A
SCHEMBL11344484 0.69
SCHEMBL11350062 0.67 TSHR (0.40)
SCHEMBL10911083 0.67 TSHR (0.40)

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
CN-110997839-B Silicone-polyether copolymer, method of preparing silicone-polyether copolymer, and sealant including silicone-polyether copolymer 美国陶氏有机硅公司 2021-09-14 CN disclosed
CN-110997840-B Silicone-polyether copolymers, isocyanate-functionalized silicone-polyether copolymers formed therewith, silicone-polyether-urethane copolymers, sealants including the same, and related methods 美国陶氏有机硅公司 2021-09-07 CN disclosed