SCHEMBL7862275

SCHEMBL7862275

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
MAPT P10636 2/20 0.57
RAB9A P51151 2/20 0.57
HRH3 Q9Y5N1 4/20 0.45
MAOB P27338 1/20 0.45
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
SRD5A2 P31213 1/20 0.43
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
POLB P06746 2/20 0.41
ELANE P08246 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7775228 0.90 NPC1 (0.57) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL7862273 0.84 NPC1 (0.51) NPC1MAPTRAB9AHRH3ADRB2
SCHEMBL7619158 0.84 NPC1 (0.52) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL8026374 0.84 NPC1 (0.52) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL7626930 0.78 ADRB2 (0.48) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL8861912 0.78 ALDH1A1 (0.56) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL7776919 0.78 PARP10 (0.57) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL9446934 0.78 ADRB2 (0.48) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL5729777 0.78 PARP10 (0.53) NPC1MAPTRAB9AADRB2ADRB1
SCHEMBL2831629 0.78 MAPT (0.49) NPC1MAPTRAB9AADRB2ADRB1

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 1 patent. 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