SCHEMBL6285339

SCHEMBL6285339

CCCCOc1ccc(-c2ncc(-c3ccc(O)cc3)cn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
KDM4E B2RXH2 3/20 0.65
HSD17B10 Q99714 2/20 0.65
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
LTA4H P09960 3/20 0.60
NR5A1 Q13285 1/20 0.60
MAPT P10636 2/20 0.57
CYP3A4 P08684 3/20 0.54
CYP2D6 P10635 3/20 0.54
ALDH1A1 P00352 2/20 0.52
CYP2C9 P11712 3/20 0.51
CYP2C19 P33261 3/20 0.51
CYP19A1 P11511 2/20 0.51
RARB P10826 4/20 0.50
LMNA P02545 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL9228047 0.96 NR5A1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9343934 0.96 NR5A1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL10574379 0.96 NR5A1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL10337755 0.96 NR5A1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6255603 0.96 NR5A1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL6254577 0.96 NR5A1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9330768 0.87 NPC1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL9184595 0.87 NPC1 (0.69) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL428018 0.87 LTA4H (0.78) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL8436081 0.86 NR5A1 (0.63) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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
JP-2005330204-A MEGAKARYOCYTE PRODUCTION-INDUCING AGENT OTSUKA PHARMACEUT CO LTD 2005-12-02 JP disclosed
EP-0427166-B1 Ester compounds and liquid crystal compositions containing the same JAPAN ENERGY CORP (JP) 1994-06-22 EP disclosed
US-5211879-A ESTER COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THE SAME NIPPON MINING CO., LTD. (JP) 1993-05-18 US disclosed
EP-0427166-A1 Ester compounds and liquid crystal compositions containing the same JAPAN ENERGY CORPORATION (JP) 1991-05-15 EP disclosed