SCHEMBL8636620

SCHEMBL8636620

CCCCCCCc1ccc(C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 1/20 0.54
MAOB P27338 1/20 0.53
LTA4H P09960 1/20 0.53
EPHX2 P34913 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
FFAR1 O14842 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
MGLL Q99685 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
NPC1 O15118 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL9578641 1.00 SMPD1 (0.54) SMPD1SMN1; SMN2MAPTMAOBLTA4H
SCHEMBL10807328 1.00 SMPD1 (0.54) SMPD1SMN1; SMN2MAPTMAOBLTA4H
SCHEMBL2855005 0.99 MAPT (0.55) SMPD1SMN1; SMN2MAPTMAOBLTA4H
SCHEMBL9650867 0.90 NPC1 (0.64) SMN1; SMN2MAPTMAOBNFKB1NFKB2
SCHEMBL27973868 0.90 NPC1 (0.64) SMN1; SMN2MAPTMAOBNFKB1NFKB2
SCHEMBL27973867 0.90 NPC1 (0.64) SMN1; SMN2MAPTMAOBNFKB1NFKB2
SCHEMBL1934051 0.90 NPC1 (0.64) SMN1; SMN2MAPTMAOBNFKB1NFKB2
SCHEMBL9578511 0.90 NPC1 (0.64) SMN1; SMN2MAPTMAOBNFKB1NFKB2
SCHEMBL4054835 0.90 MAOB (0.58) SMN1; SMN2MAPTMAOBNR4A1NR4A2
SCHEMBL8639906 0.89 LMNA (0.64) SMN1; SMN2MAPTMAOBNR4A1NR4A2

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-5804097-A HAVING HIGH FLOW VISCOSITY, GOOD MISCIBILITY WITH OTHER LIQUID CRYSTALS BASF AKTIENGSELLSCHAFT (DE) 1998-09-08 US disclosed