SCHEMBL18907156

SCHEMBL18907156

[C-]#[N+]c1c(Oc2ccc(C(=O)OC)cc2)cccc1Oc1cc2c(cc1Oc1cccc(Oc3ccc(C(=O)OC)cc3)c1[N+]#[C-])C1(CC(C)(C)c3cc(Oc4cccc(Oc5ccc(C(=O)CO)cc5)c4C#N)c(Oc4cccc(Oc5ccc(C(=O)CO)cc5)c4C#N)cc31)CC2(C)C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
BLM P54132 1/20 0.34
EZH2 Q15910 4/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
AR P10275 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31
CYP26A1 O43174 2/20 0.31
RXRA P19793 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL18914706 0.87 EZH2 (0.40) CYP3A4NPC1RAB9ASMN1; SMN2POLB
SCHEMBL20087269 0.87 EZH2 (0.33) CYP3A4NPC1RAB9ASMN1; SMN2POLB
SCHEMBL18914697 0.81 EZH2 (0.36) CYP3A4NPC1RAB9ASMN1; SMN2POLB
SCHEMBL17427502 0.79 MAPT (0.33) NPC1RAB9ASMN1; SMN2POLBMAPT
SCHEMBL18907157 0.79 MAPT (0.31) MAPT
SCHEMBL18907162 0.79 SLC22A12 (0.33)
SCHEMBL18907155 0.78
SCHEMBL18914696 0.78 RXRA (0.40) NPC1RAB9APOLBEZH2LPAR1
SCHEMBL18179346 0.78 MEN1 (0.37) NPC1RAB9APOLBMAPTLMNA
SCHEMBL18907150 0.76 MAPT (0.32) MAPT

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
US-20180114698-A2 COMPOSITION FOR FILM FORMATION, FILM, PRODUCTION METHOD OF PATTERNED SUBSTRATE, AND COMPOUND JSR CORPORATION (JP) 2018-04-26 US disclosed
US-20170154782-A1 COMPOSITION FOR FILM FORMATION, FILM, PRODUCTION METHOD OF PATTERNED SUBSTRATE, AND COMPOUND JSR CORPORATION (JP) 2017-06-01 US disclosed