SCHEMBL28629100

SCHEMBL28629100

CC(O)Oc1ccccc1Cl.OCCOc1cc(Cl)c(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PKM P14618 1/20 0.38
BRPF1 P55201 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL421711 0.79 ALDH1A1 (0.49) L3MBTL1MAPTHPGDCYP1A2CYP2C19
SCHEMBL134595 0.77 LMNA (0.48) L3MBTL1MAPTHPGDCYP2C19CYP2C9
SCHEMBL4897444 0.77 LMNA (0.48) L3MBTL1MAPTHPGDCYP2C19CYP2C9
SCHEMBL29444902 0.77 LMNA (0.48) L3MBTL1MAPTHPGDCYP2C19CYP2C9
SCHEMBL2094937 0.75 MEN1 (0.58) L3MBTL1MAPTNPC1RAB9AHPGD
SCHEMBL10358890 0.74 TDP1 (0.42) L3MBTL1NPC1HPGDSMN1; SMN2TDP1
SCHEMBL11069560 0.73 ALDH1A1 (0.44) L3MBTL1MAPTHPGDCYP1A2CYP3A4
Pentachlorophenol SCHEMBL9847209 0.70 ALDH1A1 (0.42) L3MBTL1MAPTHPGDCYP1A2CYP3A4
SCHEMBL11069544 0.70 CSNK2A1 (0.37) L3MBTL1HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL8841078 0.70 SLC6A2 (0.45) MAPTHPGDSMN1; SMN2MEN1KMT2A

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-110997757-B Isocyanate-functional silicone-polyether copolymers, silicone-polyether-urethane copolymers formed therewith, sealants including the same, and related methods 美国陶氏有机硅公司 2022-03-08 CN disclosed
CN-113195507-A Multifunctional organosilicon compounds and related methods, compounds, and compositions 美国陶氏有机硅公司 2021-07-30 CN disclosed