SCHEMBL9815068

SCHEMBL9815068

CCCCCCCCCCCCCCCC(=O)Nc1ccc2c(OC)c3ccccc3c(OC)c2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 1/20 0.59
EP300 Q09472 1/20 0.53
CNR1 P21554 2/20 0.53
SOAT2 O75908 1/20 0.51
SOAT1 P35610 1/20 0.51
EPHX2 P34913 3/20 0.50
CNR2 P34972 1/20 0.50
P2RY12 Q9H244 1/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
NAMPT P43490 1/20 0.49

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
SCHEMBL9815046 0.87 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNAP2RY12
SCHEMBL3777911 0.87 SMN1; SMN2 (0.68) NPC1RAB9ASMN1; SMN2LMNAEP300
SCHEMBL9815033 0.84 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2LMNAP2RY12
SCHEMBL9815031 0.83 NPSR1 (0.59) NPC1RAB9ASMN1; SMN2P2RY12
SCHEMBL19308465 0.78 P2RY12 (0.73) NPC1RAB9ASMN1; SMN2LMNAEP300
SCHEMBL9815084 0.77 KDM4E (0.59) NPC1RAB9ASMN1; SMN2LMNAMTNR1A
SCHEMBL9858666 0.76 ENPP2 (0.71) NPC1RAB9ASMN1; SMN2LMNACNR1
SCHEMBL675018 0.76 ENPP2 (0.71) NPC1RAB9ASMN1; SMN2LMNACNR1
SCHEMBL9510547 0.76 ENPP2 (0.71) NPC1RAB9ASMN1; SMN2LMNACNR1
SCHEMBL10647695 0.76 L3MBTL1 (0.84) LMNACNR1CNR2MTNR1AMTNR1B

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-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP claimed
EP-0447949-A1 Optical oxygen sensor F. HOFFMANN-LA ROCHE AG (CH) 1991-09-25 EP disclosed