SCHEMBL3777911

SCHEMBL3777911

CCCCCCCC(=O)Nc1ccc2c3ccccc3c3ccccc3c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.68
NPC1 O15118 3/20 0.68
RAB9A P51151 3/20 0.68
LMNA P02545 3/20 0.68
EP300 Q09472 1/20 0.60
SOAT2 O75908 1/20 0.58
SOAT1 P35610 1/20 0.58
P2RY12 Q9H244 1/20 0.56
NAMPT P43490 1/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
ENPP2 Q13822 1/20 0.53

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
SCHEMBL9815068 0.87 NPC1 (0.59) SMN1; SMN2NPC1RAB9ALMNAEP300
SCHEMBL19308465 0.84 P2RY12 (0.73) SMN1; SMN2NPC1RAB9ALMNAEP300
SCHEMBL9858666 0.82 ENPP2 (0.71) SMN1; SMN2NPC1RAB9ALMNASOAT2
SCHEMBL9510547 0.82 ENPP2 (0.71) SMN1; SMN2NPC1RAB9ALMNASOAT2
SCHEMBL675018 0.82 ENPP2 (0.71) SMN1; SMN2NPC1RAB9ALMNASOAT2
SCHEMBL11418581 0.82 NPC1 (0.66) SMN1; SMN2NPC1RAB9ALMNAEP300
SCHEMBL3774883 0.81 MEN1 (0.59) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL541399 0.81 SOAT2 (0.82) LMNASOAT2SOAT1POLBKDM4E
SCHEMBL282938 0.81 SOAT2 (0.82) LMNASOAT2SOAT1POLBKDM4E
SCHEMBL8743258 0.81 SOAT2 (0.82) LMNASOAT2SOAT1POLBKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236867-B2 Polymer complex having channels and method for chemically modifying inner surfaces of channels of polymer complex THE UNIVERSITY OF TOKYO (JP) 2012-08-07 US disclosed
US-8236867-B2 Polymer complex having channels and method for chemically modifying inner surfaces of channels of polymer complex THE UNIVERSITY OF TOKYO (JP) 2012-08-07 US disclosed
US-20100324249-A1 POLYMER COMPLEX HAVING CHANNELS AND METHOD FOR CHEMICALLY MODIFYING INNER SURFACES OF CHANNELS OF POLYMER COMPLEX TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-12-23 US disclosed
US-20100324249-A1 POLYMER COMPLEX HAVING CHANNELS AND METHOD FOR CHEMICALLY MODIFYING INNER SURFACES OF CHANNELS OF POLYMER COMPLEX TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2010-12-23 US disclosed