SCHEMBL25037512

SCHEMBL25037512

CCCC(C)(CC)Cc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 6/20 0.41
DUSP3 P51452 6/20 0.41
AR P10275 2/20 0.40
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
NR3C2 P08235 1/20 0.38
P2RX7 Q99572 4/20 0.36
SLC6A4 P31645 1/20 0.35
KDR P35968 1/20 0.35
RIPK1 Q13546 1/20 0.35
SOS1 Q07889 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL25039167 0.85 PTPN7 (0.44) PTPN7DUSP3ARCTSSCTSK
SCHEMBL2600031 0.80 PTPN7 (0.47) PTPN7DUSP3ARNR3C2P2RX7
SCHEMBL2600223 0.80 CTSS (0.46) PTPN7DUSP3ARCTSSCTSK
SCHEMBL19772156 0.77 ESR1 (0.45)
SCHEMBL1721015 0.77 SLC6A2 (0.48) PTPN7DUSP3ARNR3C2SLC6A4
SCHEMBL19251186 0.76 PTPN7 (0.41) PTPN7DUSP3ARCTSSCTSK
SCHEMBL5023454 0.76 AR (0.48) PTPN7DUSP3ARNR3C2P2RX7
SCHEMBL10299806 0.76 AR (0.48) PTPN7DUSP3ARNR3C2P2RX7
SCHEMBL13821426 0.74 RIPK1 (0.47) RIPK1
SCHEMBL19309519 0.74 HTR2A (0.49) NR3C2SLC6A4S1PR1

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-4134076-A1 THERAPY FOR INHIBITION OF SINGLE-STRANDED RNA VIRUS REPLICATION Redhill Biopharma Ltd. (IL) 2023-02-15 EP disclosed