SCHEMBL7775228

SCHEMBL7775228

C=CCOc1ccc(C(=O)Oc2ccc(OC(=O)C3CCCCC3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
MAPT P10636 3/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 3/20 0.53
ELANE P08246 2/20 0.53
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPGD P15428 3/20 0.44
MEN1 O00255 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CHRNB2 P17787 1/20 0.39

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
SCHEMBL7862275 0.90 NPC1 (0.57) NPC1MAPTRAB9APOLBELANE
SCHEMBL9615830 0.84 NPC1 (0.43) NPC1MAPTRAB9APOLBELANE
SCHEMBL7619158 0.84 NPC1 (0.52) NPC1MAPTRAB9APOLBKMT2A
SCHEMBL8026374 0.84 NPC1 (0.52) NPC1MAPTRAB9APOLBKMT2A
SCHEMBL7775226 0.80 ELANE (0.51) NPC1MAPTRAB9APOLBELANE
SCHEMBL7862273 0.79 NPC1 (0.51) NPC1MAPTRAB9APOLBELANE
SCHEMBL26866501 0.79 ELANE (0.61) NPC1MAPTRAB9APOLBELANE
SCHEMBL23487602 0.78 ELANE (0.78) MAPTRAB9APOLBELANEKMT2A
SCHEMBL7776919 0.78 PARP10 (0.57) NPC1MAPTRAB9APOLBKMT2A
SCHEMBL7626930 0.78 ADRB2 (0.48) NPC1MAPTRAB9APOLBKMT2A

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
US-6300454-B1 Liquid-crystalline nematic organosiloxanes which can be crosslinked to form optically anisotropic polymer layers WACKER-CHEMIE GMBH (DE) 2001-10-09 US disclosed
EP-0985721-B1 Nematic liquid crystalline organosiloxanes crosslinkable to optical anisotropic polymer layers CONSORTIUM ELEKTROCHEM IND (DE) 2001-08-29 EP disclosed
EP-0985721-A1 Nematic liquid crystalline organosiloxanes crosslinkable to optical anisotropic polymer layers Consortium für elektrochemische Industrie GmbH (DE) 2000-03-15 EP disclosed