SCHEMBL28620048

SCHEMBL28620048

CC(c1ccc2c(c1)C(C)(C)CO2)S(=O)(=O)O.O=C(Oc1cc2ccccc2o1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.36
RARG P13631 3/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
RARA P10276 2/20 0.34
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
RXRA P19793 1/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL987763 0.78 RARB (0.41) RARBRARGRARARXRAPTGS1
Benfuresate SCHEMBL15634059 0.69 ACACB (0.38) RARBRARGRARARXRAPTGS1
SCHEMBL28346595 0.68 CA12 (0.49) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL28346596 0.66 RAB9A (0.51) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL7115338 0.64 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL5659590 0.62 NOTUM (0.44) RARBRARGRARARXRAPTGS1
SCHEMBL3807363 0.62 KDM4E (0.51) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL11806318 0.62 RARB (0.39) RARBRARGRARARXRAPTGS1
SCHEMBL11811521 0.61 RARB (0.43) RARBRARGRARARXRAPTGS1
SCHEMBL5656270 0.61 NOTUM (0.43) RARBRARGRARARXRAPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997838-B Silicone-polyether copolymers, sealants including silicone-polyether copolymers, and related methods 美国陶氏有机硅公司 2021-10-01 CN disclosed
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