SCHEMBL21574567

SCHEMBL21574567

CCCCCCCCOc1ccc(-c2nc(-c3ccc(C)cc3C)nc(-c3ccc(C)cc3C)n2)c(OCCCCC)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.43
PDK2 Q15119 2/20 0.40
PLK1 P53350 3/20 0.40
NR5A1 Q13285 1/20 0.39
ACACB O00763 1/20 0.39
ACACA Q13085 1/20 0.39
TSHR P16473 2/20 0.39
TP53 P04637 1/20 0.39
TLR8 Q9NR97 1/20 0.39
GCGR P47871 1/20 0.39

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
SCHEMBL19663723 1.00 PTPN11 (0.43) PTPN11PDK2PLK1NR5A1ACACB
SCHEMBL21337962 0.98 ACACB (0.42) PTPN11PDK2PLK1NR5A1ACACB
SCHEMBL21574510 0.94 PTPN11 (0.39) PTPN11PDK2PLK1NR5A1ACACB
SCHEMBL20367064 0.94 PTPN11 (0.39) PTPN11PDK2PLK1NR5A1ACACB
SCHEMBL23023555 0.94 PTPN11 (0.41) PTPN11PDK2PLK1ACACBACACA
SCHEMBL24445620 0.94 PTPN11 (0.46) PTPN11PDK2PLK1TSHRTLR8
SCHEMBL21574515 0.94 PTPN11 (0.39) PTPN11PDK2PLK1ACACBACACA
SCHEMBL20690907 0.92 PTPN11 (0.38) PTPN11PDK2PLK1NR5A1ACACB
SCHEMBL19661192 0.92 PDK2 (0.38) PTPN11PDK2PLK1ACACBACACA
SCHEMBL23559214 0.91 PDK2 (0.38) PTPN11PDK2PLK1ACACBACACA

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-20220119592-A1 SURFACE-TREATING AGENT DAIKIN INDUSTRIES, LTD. (JP) 2022-04-21 US disclosed
EP-3569673-A1 SURFACE TREATMENT AGENT CONTAINING PERFLUORO(POLY)ETHER GROUP-CONTAINING COMPOUND Daikin Industries, Ltd. (JP) 2019-11-20 EP disclosed