SCHEMBL7022480

SCHEMBL7022480

C=CCCCC(=O)Oc1ccc(C23CCC(CCCCCC)(CC2)CC3)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.37
RET P07949 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
STS P08842 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.33
ESR1 P03372 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL7023648 0.96 KMT2A (0.39) KMT2ASMN1; SMN2THRBRETNPC1
SCHEMBL8519888 0.90 KMT2A (0.51) KMT2ASMN1; SMN2RETNPC1RAB9A
SCHEMBL8622648 0.80 CNR1 (0.40) KMT2ATHRBSTSMEN1
SCHEMBL8622651 0.80 CNR1 (0.40) KMT2ATHRBSTSMEN1
SCHEMBL7022448 0.80 MEN1 (0.40) KMT2ATSHRSTSALDH1A1LMNA
SCHEMBL7894065 0.79 NAAA (0.37)
SCHEMBL7022073 0.79 NAAA (0.37)
SCHEMBL7021279 0.77 RARB (0.39) KMT2ASMN1; SMN2NPC1RAB9AHPGD
SCHEMBL7025854 0.77
SCHEMBL7025850 0.77

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