SCHEMBL8747431

SCHEMBL8747431

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
PRKCA P17252 1/20 0.35
PRKCD Q05655 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
POLB P06746 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 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
SCHEMBL10448638 0.89 TSHR (0.43) TSHRALDH1A1CA12CA1CA2
SCHEMBL8747249 0.83 SLC6A4 (0.32) TSHRPRKCAPRKCDSLC6A2SLC6A4
SCHEMBL8946795 0.83 ALDH1A1 (0.50) TSHRALDH1A1CA12CA1CA2
SCHEMBL17845803 0.81 ALDH1A1 (0.58) TSHRALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL9407615 0.81 ALDH1A1 (0.58) TSHRALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL8605437 0.81 ALDH1A1 (0.58) TSHRALDH1A1L3MBTL1KMT2ANPC1
SCHEMBL8095880 0.80 PRKCA (0.49) TSHRALDH1A1CA12CA1CA2
SCHEMBL6945710 0.79 CA12 (0.43) TSHRALDH1A1CA12CA1CA2
SCHEMBL828610 0.79 TSHR (0.51) TSHRALDH1A1CA12CA1CA2
SCHEMBL8747429 0.78 ALDH1A1 (0.40) TSHRALDH1A1L3MBTL1LMNAPOLB

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