SCHEMBL7023648

SCHEMBL7023648

C=CCCCC(=O)Oc1ccc(-c2ccc(C34CCC(CCCCC)(CC3)CC4)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.36
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
STS P08842 1/20 0.34
RET P07949 1/20 0.33
NPC1 O15118 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
BCL9 O00512 1/20 0.32
CTNNB1 P35222 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DUSP3 P51452 1/20 0.31
RARB P10826 1/20 0.31

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
SCHEMBL7022480 0.96 KMT2A (0.42) KMT2ASMN1; SMN2THRBRAB9AHPGD
SCHEMBL8519888 0.86 KMT2A (0.51) KMT2ASMN1; SMN2RAB9AHPGDSTS
SCHEMBL7021279 0.82 RARB (0.39) KMT2ASMN1; SMN2RAB9AHPGDSTS
SCHEMBL8622648 0.78 CNR1 (0.40) KMT2ATHRBSTSMEN1
SCHEMBL7022448 0.78 MEN1 (0.40) KMT2ASTSMEN1TP53TSHR
SCHEMBL7894065 0.78 NAAA (0.37)
SCHEMBL7022073 0.78 NAAA (0.37)
SCHEMBL7025854 0.75
SCHEMBL7025850 0.75
SCHEMBL7020988 0.75

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
EP-0929509-B1 LIQUID CRYSTAL ALKENYL BICYCLO 2.2.2]OCTANES AND MIXTURES AND DEVICES CONTAINING SUCH COMPOUNDS QINETIQ LTD (GB) 2003-01-15 EP disclosed
US-6187393-B1 FOR LIQUID CRYSTAL DISPLAYS THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 2001-02-13 US disclosed