SCHEMBL7775226

SCHEMBL7775226

C=CCOc1ccc(C(=O)OC2CCC(C(=O)Oc3ccccc3)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.51
POLB P06746 3/20 0.45
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 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
SCHEMBL7713596 0.81 NPC1 (0.51) POLBMAPTRAB9ANPC1CHRNB2
SCHEMBL7775228 0.80 NPC1 (0.57) ELANEPOLBMAPTRAB9ANPC1
SCHEMBL8366016 0.80 SMN1; SMN2 (0.46) ELANEPOLBMAPTRAB9ANPC1
SCHEMBL17281256 0.80 ELANE (0.56) ELANEPOLBMAPTKMT2AMEN1
SCHEMBL5729777 0.79 PARP10 (0.53) POLBMAPTRAB9ANPC1CHRNB2
SCHEMBL17460993 0.79 NPC1 (0.49) POLBMAPTRAB9ANPC1CHRNB2
SCHEMBL9923605 0.79 NPC1 (0.49) POLBMAPTRAB9ANPC1CHRNB2
SCHEMBL25501082 0.78 PTPN2 (0.43) ELANEPOLBNPC1KMT2ASMN1; SMN2
SCHEMBL9615830 0.77 NPC1 (0.43) ELANEPOLBMAPTRAB9ANPC1
SCHEMBL7711204 0.77 NPC1 (0.47) POLBMAPTRAB9ANPC1CHRNB2

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