SCHEMBL28431237

SCHEMBL28431237

OCCc1ccccc1N(CCO)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
NSD2 O96028 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
GALK1 P51570 1/20 0.44
BLM P54132 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTPN1 P18031 2/20 0.42
USP2 O75604 1/20 0.41
MGLL Q99685 1/20 0.40
MEN1 O00255 3/20 0.37

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
SCHEMBL3864995 0.86 MEN1 (0.46) HTTMAPTALDH1A1L3MBTL1NPC1
SCHEMBL4972659 0.81 POLB (0.41) HTTMAPTALDH1A1L3MBTL1NPC1
SCHEMBL4495007 0.79 PTPN1 (0.41) MAPTTDP1PTPN1MEN1KMT2A
SCHEMBL15994081 0.79 TSHR (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2MGLL
SCHEMBL17374923 0.79 PTPN1 (0.48) ALDH1A1TDP1PTPN1MEN1KMT2A
SCHEMBL18050878 0.75 HTR2A (0.42) ALDH1A1PTPN1TSHRNR3C1CYP2C19
SCHEMBL3061911 0.74 TSHR (0.59) HTTMAPTALDH1A1L3MBTL1NPC1
SCHEMBL8355276 0.74 ALDH1A1 (0.46) HTTMAPTALDH1A1L3MBTL1NPC1
SCHEMBL9709200 0.73 KEAP1 (0.53) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5467765 0.73 ALDH1A1 (0.45) HTTMAPTALDH1A1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112521845-A Cationic polyurethane-based self-repairing real stone paint and preparation method thereof 安徽科创美涂料科技股份有限公司 2021-03-19 CN claimed
CN-112480354-A Cationic self-repairing waterborne polyurethane and preparation method thereof 安徽朗凯奇建材有限公司 2021-03-12 CN claimed
CN-112480354-B Cationic self-repairing waterborne polyurethane and preparation method thereof 安徽朗凯奇建材有限公司 2022-08-09 CN disclosed
CN-112521845-A Cationic polyurethane-based self-repairing real stone paint and preparation method thereof 安徽科创美涂料科技股份有限公司 2021-03-19 CN disclosed
CN-112480354-A Cationic self-repairing waterborne polyurethane and preparation method thereof 安徽朗凯奇建材有限公司 2021-03-12 CN disclosed
CN-111424431-A Fluorine-free hydrophobic cotton fabric finishing agent and method for finishing cotton fabric by using same 广州市增城区实验中学 2020-07-17 CN disclosed