SCHEMBL28347692

SCHEMBL28347692

CC(C)c1ccc(OP(=O)(O)OP(=O)(O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
RAB9A P51151 3/20 0.39
PTPN5 P54829 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
BLM P54132 1/20 0.39
TYR P14679 1/20 0.38
SRC P12931 1/20 0.38
ACP3 P15309 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL25191166 0.97 CES2 (0.38) CES2CES1RAB9APTPN5MEN1
SCHEMBL2475808 0.89 CES2 (0.48) CES2CES1RAB9APTPN5MEN1
SCHEMBL223266 0.85 SRC (0.54) RAB9APTPN5MEN1KMT2ALMNA
SCHEMBL4103871 0.84 SRC (0.50) CES2CES1MEN1KMT2ABLM
SCHEMBL11401703 0.84 CYP3A4 (0.41) RAB9APTPN5MEN1KMT2ALMNA
SCHEMBL28681455 0.84 RAB9A (0.44) CES2CES1RAB9APTPN5MEN1
SCHEMBL27342545 0.83 SRC (0.52) RAB9APTPN5MEN1KMT2ALMNA
SCHEMBL223469 0.82 SRC (0.52) CES2CES1RAB9APTPN5MEN1
SCHEMBL28669526 0.82 POLB (0.41) CES2CES1RAB9APTPN5MEN1
SCHEMBL28681444 0.81 CES2 (0.42) CES2CES1RAB9APTPN5MEN1

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-107286300-B Polyorganosiloxane-containing graft copolymer, resin composition, and molded article 三菱化学株式会社 2021-09-28 CN disclosed
CN-104755516-B Polyorganosiloxane-containing graft copolymer, resin composition, and molded article 三菱化学株式会社 2020-01-24 CN disclosed