SCHEMBL8735455

SCHEMBL8735455

CCC(C)(CC(C)C)c1ccccc1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 1/20 0.32
RIPK1 Q13546 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
CNR2 P34972 1/20 0.32
GRIA4 P48058 2/20 0.31
SCN1A P35498 1/20 0.31

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
SCHEMBL8679597 0.86 DPP4 (0.42) DPP4SMN1; SMN2ADRB2ADRB1MAPK1
SCHEMBL27986517 0.81 SCN1A (0.36) DPP4SMN1; SMN2ADRB2ADRB1RIPK1
SCHEMBL8679296 0.79 DPP4 (0.37) DPP4SMN1; SMN2ADRB2ADRB1MAPK1
SCHEMBL8683363 0.77 SOAT1 (0.36) DPP4KMT2A
SCHEMBL9861295 0.76 DPP4 (0.33) DPP4SMN1; SMN2GAAADRB2MAPK1
SCHEMBL8683303 0.75 DPP4 (0.39) DPP4SMN1; SMN2ADRB2ADRB1MAPK1
SCHEMBL127574 0.74 MAPK1 (0.41) DPP4SMN1; SMN2ADRB2ADRB1NPC1
SCHEMBL8686900 0.74 ALDH1A1 (0.43) GAAADRB2LMNAMAPK1KMT2A
SCHEMBL8679018 0.72 DPP4 (0.39) DPP4SMN1; SMN2ADRB2MAPK1PDCD1
SCHEMBL9241713 0.72 ESR1 (0.36) DPP4SMN1; SMN2ADRB2MAPK1PDCD1

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
EP-0819667-A2 Processes for production of mono- and/or di- sec. butylbiphenyl and products obtainable therefrom KOCH INDUSTRIES, INC. (US) 1998-01-21 EP disclosed