SCHEMBL7775451

SCHEMBL7775451

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 1/20 0.49
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NFKB1 P19838 1/20 0.44

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
SCHEMBL7770715 0.91 NPC1 (0.51) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL7775414 0.90 NPC1 (0.52) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL7776932 0.90 NPC1 (0.52) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL8026374 0.87 NPC1 (0.52) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL7619158 0.87 NPC1 (0.52) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL28513661 0.87 NPC1 (0.49) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL7777073 0.86 ADRB2 (0.44) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL7775472 0.86 ADRB2 (0.44) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL8021884 0.86 ADRB2 (0.44) NPC1MAPTRAB9ASMN1; SMN2POLB
SCHEMBL8962712 0.86 LMNA (0.60) NPC1MAPTRAB9ASMN1; SMN2POLB

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-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