SCHEMBL19680378

SCHEMBL19680378

CCC(C)(C)c1ccc(COC2CN(COC)C(=O)N(COC)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.48
PRMT6 Q96LA8 2/20 0.48
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
NAAA Q02083 10/20 0.37
MAOB P27338 4/20 0.34
HRH3 Q9Y5N1 4/20 0.34
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32

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
SCHEMBL21657567 0.81 NAAA (0.35) NAAACTSLCTSBCTSK
SCHEMBL19680376 0.79 SMN1; SMN2 (0.36) HRH3S1PR4S1PR1S1PR3S1PR5
SCHEMBL17936659 0.78 SLC6A2 (0.42) CARM1PRMT6KCNH2NAAACTSL
SCHEMBL19998126 0.78 NAAA (0.35) NAAACTSLCTSBCTSK
SCHEMBL10053106 0.76 SMN1; SMN2 (0.34) HRH3S1PR4S1PR1S1PR3S1PR5
SCHEMBL20109662 0.73 POLB (0.34) CARM1PRMT6NAAACTSLCTSB
SCHEMBL17931665 0.73 HRH3 (0.50) MAOBHRH3
SCHEMBL10180151 0.70 NPC1 (0.47) CARM1PRMT6ADORA3CHRM1DRD3
SCHEMBL10053098 0.69 ACSS2 (0.32) S1PR4S1PR1S1PR3S1PR5
SCHEMBL10447427 0.66 RIPK1 (0.35)

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-20170351176-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, MASK BLANK INCLUDING ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2017-12-07 US disclosed