SCHEMBL18377331

SCHEMBL18377331

CCCCCCCCCCOCC(O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
LMNA P02545 3/20 0.54
USP2 O75604 1/20 0.50
ASAH1 Q13510 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.46
SPHK1 Q9NYA1 1/20 0.45
NAAA Q02083 2/20 0.44
CERT1 Q9Y5P4 3/20 0.44
KDM4E B2RXH2 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL11158758 1.00 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ALMNAUSP2
SCHEMBL15955454 0.98 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9ALMNAUSP2
SCHEMBL10512429 0.93 LMNA (0.52) SMN1; SMN2NPC1RAB9ALMNAUSP2
SCHEMBL14904507 0.88 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ALMNAUSP2
SCHEMBL10511898 0.86 LMNA (0.55) SMN1; SMN2NPC1RAB9ALMNAALDH1A1
SCHEMBL15016680 0.83 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ALMNAASAH1
SCHEMBL12519824 0.81 NPC1 (0.43) SMN1; SMN2NPC1RAB9ALMNAUSP2
SCHEMBL9545874 0.79 NPC1 (0.43) SMN1; SMN2NPC1RAB9ALMNAASAH1
SCHEMBL9468671 0.79 NPC1 (0.43) SMN1; SMN2NPC1RAB9ALMNAASAH1
SCHEMBL10988576 0.79 NPC1 (0.52) SMN1; SMN2NPC1RAB9ALMNAASAH1

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-20170009062-A1 DISPERSION CONTAINING METAL OXIDE PARTICLES NIPPON SHOKUBAI CO., LTD. (JP) 2017-01-12 US disclosed