SCHEMBL16578109

SCHEMBL16578109

CCC(CC)(CC(C)(C)C(C)C)n1nnc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 8/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 3/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ CYP4Z1 Q86W10 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL15444316 0.78 SLC9A1 (0.53) SLC9A1KEAP1POLBCYP4Z1PTPRC
SCHEMBL10954907 0.76 SLC9A1 (0.47) SLC9A1NPSR1KEAP1POLBTSHR
SCHEMBL7760804 0.73 SLC9A1 (0.55) SLC9A1KEAP1POLBCYP4Z1RAB9A
SCHEMBL10605830 0.73 SLC9A1 (0.47) SLC9A1KEAP1LMNAPOLBAPAF1
SCHEMBL241996 0.73 SLC9A1 (0.51) SLC9A1KEAP1POLBAPAF1CYP4Z1
SCHEMBL10606076 0.73 SLC9A1 (0.51) SLC9A1KEAP1MEN1LMNAKMT2A
SCHEMBL23207680 0.73 SLC9A1 (0.49) SLC9A1KEAP1POLBCYP4Z1PTPRC
SCHEMBL23207744 0.72 SLC9A1 (0.51) SLC9A1KEAP1POLBCYP4Z1PTPRC
SCHEMBL23207655 0.72 SLC9A1 (0.51) SLC9A1KEAP1POLBCYP4Z1PTPRC
SCHEMBL10607208 0.71 SLC9A1 (0.52) SLC9A1KEAP1POLBCYP4Z1RAB9A

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-20150075616-A1 ENCAPSULATING MATERIAL FOR SOLAR CELL AND SOLAR CELL MODULE MITSUI CHEMICALS, INC. (JP) 2015-03-19 — — US disclosed
Send feedback