SCHEMBL28628201

SCHEMBL28628201

CC(C)(C)c1cc(NC(=O)OCC(=O)O)no1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.57
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 1/20 0.51
MAPK14 Q16539 3/20 0.49
RAF1 P04049 3/20 0.49
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
FLT3 P36888 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL11645912 0.85 EGFR (0.60) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL11642518 0.83 EGFR (0.57) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL11648697 0.83 EGFR (0.57) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL3197830 0.82 EGFR (0.59) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL11647584 0.82 EGFR (0.56) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL11645249 0.82 EGFR (0.56) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL164064 0.82 EGFR (0.62) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL4894612 0.82 EGFR (0.62) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL11648744 0.81 EGFR (0.55) EGFRNPC1RAB9AMEN1KMT2A
SCHEMBL16245661 0.81 EGFR (0.55) EGFRNPC1RAB9AMEN1KMT2A

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