SCHEMBL31104528

SCHEMBL31104528

Cc1ccccc1OP(=O)(O)Oc1ccc(C)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
INPPL1 O15357 2/20 0.38
INPP5A Q14642 2/20 0.38
INPP5B P32019 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AKT1 P31749 1/20 0.36
NOTUM Q6P988 1/20 0.36
PTPN1 P18031 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35

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
SCHEMBL2568315 0.89 MAPT (0.44) MAPTLMNAGAAMAPK1HTT
SCHEMBL497602 0.88 KDM4E (0.47) MAPTKDM4ELMNAINPPL1INPP5A
Fluoride SCHEMBL31047191 0.86 KDM4E (0.46) MAPTKDM4ELMNAINPPL1INPP5A
SCHEMBL497309 0.84 MAPT (0.67) MAPTLMNAGAAMAPK1HTT
SCHEMBL27572156 0.83 INPPL1 (0.44) MAPTKDM4ELMNAGAAMAPK1
SCHEMBL28949256 0.81 MAPT (0.59) MAPTLMNAGAAMAPK1HTT
Toluene SCHEMBL28427945 0.81 GPR84 (0.44) MAPTKDM4ELMNAGPR84SMN1; SMN2
Biphenyl SCHEMBL28011477 0.80 MAPT (0.57) MAPTKDM4ELMNAGAAMAPK1
Catechol SCHEMBL28207158 0.80 MAPT (0.57) MAPTKDM4ELMNAGAAMAPK1
SCHEMBL10884019 0.79 SRC (0.52) MAPTKDM4ELMNAGPR84NOTUM

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-118647372-A Liquid resin extended release oral naltrexone formulations for the treatment of autism related disorders 阿达瓦克治疗公司 2024-09-13 CN disclosed
CN-118591598-A Non-fluorinated surfactants for floor care coatings 巴斯夫欧洲公司 2024-09-03 CN disclosed