SCHEMBL102867

SCHEMBL102867

C=Cc1ccc(COc2ccc(CCOC(=O)c3ccc(OCc4ccc(C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MAPT P10636 3/20 0.54
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
PARP10 Q53GL7 1/20 0.47
RXRA P19793 3/20 0.46
RXRB P28702 3/20 0.46
PTPRC P08575 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TYR P14679 1/20 0.44
NR4A2 P43354 3/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
POLB P06746 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL103172 0.89 ESR1 (0.55) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL13310802 0.86 MAPT (0.53) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL104020 0.86 MAPT (0.48) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL18328845 0.84 NPC1 (0.51) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL103544 0.83 MAPT (0.48) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL24555368 0.83 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL26417020 0.81 SNCA (0.49) NPC1RAB9ASMN1; SMN2MAPTESR1
SCHEMBL6525761 0.80 NR4A2 (0.66) NPC1RAB9ASMN1; SMN2PARP10RXRA
SCHEMBL28707031 0.79 MAOB (0.68) SMN1; SMN2PARP10MAOBALDH1A1
SCHEMBL18333422 0.79 SMN1; SMN2 (0.87) NPC1RAB9ASMN1; SMN2MAPTESR1

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
US-8992796-B2 Polymerizable liquid crystal composition DIC CORPORATION (JP) 2015-03-31 US disclosed
US-20120056129-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION DIC CORPORATION (JP) 2012-03-08 US disclosed