SCHEMBL9615211

SCHEMBL9615211

O=C(Cl)c1ccc(OCCCCCCOc2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.62
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
PLA2G4B P0C869 2/20 0.56
PRMT1 Q99873 3/20 0.55
F2 P00734 2/20 0.55
ST14 Q9Y5Y6 2/20 0.55
PLAU P00749 1/20 0.55
PRMT5 O14744 1/20 0.55
SLC22A2 O15244 1/20 0.55
SLC22A1 O15245 1/20 0.55
TMPRSS2 O15393 1/20 0.55
PTP4A3 O75365 1/20 0.55
SLC22A3 O75751 1/20 0.55
F10 P00742 1/20 0.55
PLG P00747 1/20 0.55
S100B P04271 1/20 0.55
CHRM2 P08172 1/20 0.55
CHRM4 P08173 1/20 0.55

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
SCHEMBL31228620 0.94 GAA (0.59) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL3626122 0.94 GAA (0.59) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL9680607 0.93 GAA (0.58) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL9668422 0.93 GAA (0.58) GAAL3MBTL1TP53TSHRPLA2G4B
SCHEMBL10954272 0.91 MAPT (0.59) GAAL3MBTL1TP53TSHRPRSS1
SCHEMBL8728342 0.91 TP53 (0.73) GAATP53TSHRPLA2G4BRARB
SCHEMBL1022325 0.91 TP53 (0.73) GAATP53TSHRPLA2G4BRARB
SCHEMBL4209056 0.91 TP53 (0.73) GAATP53TSHRPLA2G4BRARB
SCHEMBL9161795 0.91 TP53 (0.73) GAATP53TSHRPLA2G4BRARB
SCHEMBL2399489 0.91 TP53 (0.73) GAATP53TSHRPLA2G4BRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4122721-A None JP disclosed
EP-2766450-B1 SUBSTITUTED AMINO ALCOHOLS AS CHIRAL DOPANTS FRAUNHOFER GES FORSCHUNG (DE) 2018-12-12 EP disclosed
US-9273247-B2 Substituted amino alcohols as chiral dopants Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2016-03-01 US disclosed
EP-2766450-A1 SUBSTITUTED AMINO ALCOHOLS AS CHIRAL DOPANTS FRAUNHOFER-GESELLSCHAFT zur Förderung der angewandten Forschung e.V. (DE) 2014-08-20 EP disclosed
US-20140228591-A1 SUBSTITUTED AMINO ALCOHOLS AS CHIRAL DOPANTS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2014-08-14 US disclosed
WO-2013053752-A1 SUBSTITUTED AMINO ALCOHOLS AS CHIRAL DOPANTS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2013-04-18 WO disclosed
JP-H04122721-A MAIN CHAIN-TYPE THERMOTROPIC LIQUID CRYSTAL POLYMERIC MATERIAL SHIRAI HIROYOSHI 1992-04-23 JP disclosed