SCHEMBL8747359

SCHEMBL8747359

CCCC(O)C(F)CC(C)OC(=O)c1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
POLB P06746 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL8747460 0.87 PRKCA (0.41) TSHRMEN1KMT2ASLC6A2SLC6A4
SCHEMBL8747404 0.85 MEN1 (0.38) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL10448638 0.81 TSHR (0.43) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8747358 0.80 ALDH1A1 (0.35) TSHRMEN1KMT2AALDH1A1POLB
SCHEMBL8747431 0.78 TSHR (0.39) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8946795 0.76 ALDH1A1 (0.50) TSHRKMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL8095880 0.75 PRKCA (0.49) TSHRMEN1KMT2AALDH1A1CA12
SCHEMBL6945710 0.75 CA12 (0.43) TSHRMEN1KMT2AMAPTL3MBTL1
SCHEMBL8747454 0.74
SCHEMBL17845803 0.73 ALDH1A1 (0.58) TSHRKMT2AMAPTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585032-B1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL CO (JP) 1997-03-05 EP disclosed
US-5340498-A High speed response MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-08-23 US disclosed
EP-0585032-A1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-03-02 EP disclosed