SCHEMBL30787100

SCHEMBL30787100

CCCCCCCCOC(CC)Oc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc(-c4ccccc4)cc3)n2)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.43
PTPN11 Q06124 5/20 0.42
CNR2 P34972 3/20 0.39
PTPN1 P18031 1/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PLA2G4B P0C869 1/20 0.37
PLK1 P53350 1/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL10090891 0.85 PTPN11 (0.52) RARBPTPN11CNR2PTPN1TP53
SCHEMBL31425691 0.85 PTPN11 (0.52) RARBPTPN11CNR2PTPN1TP53
SCHEMBL10090875 0.85 PTPN11 (0.52) RARBPTPN11CNR2PTPN1TP53
SCHEMBL1630438 0.85 PTPN11 (0.52) RARBPTPN11CNR2PTPN1TP53
SCHEMBL5550301 0.85 PTPN11 (0.52) RARBPTPN11CNR2PTPN1TP53
SCHEMBL14274493 0.84 CNR2 (0.45) RARBPTPN11CNR2
SCHEMBL3970031 0.84 RARB (0.39) RARBPTPN11CNR2TP53TSHR
SCHEMBL29353180 0.83 CNR2 (0.46) RARBPTPN11CNR2
SCHEMBL887949 0.83 CNR2 (0.46) RARBPTPN11CNR2
SCHEMBL16985037 0.83 CNR2 (0.46) RARBPTPN11CNR2

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
CN-117836138-A Substrate with adhesive layer, laminate, and coating composition 旭化成株式会社 2024-04-05 CN disclosed