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SCHEMBL8387404

SCHEMBL8387404

CCCCCCCCCCC(O)Oc1ccc(-c2nc(-c3ccc(OCCCCCC)cc3O)nc(-c3c(C)cc(C)cc3C)n2)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR5A1 Q13285 1/20 0.39
▸ PTPN11 Q06124 3/20 0.39
▸ CNR2 P34972 5/20 0.38
▸ THRA P10827 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ ITGB1 P05556 1/20 0.37
▸ ITGA4 P13612 1/20 0.37
▸ PLA2G4B P0C869 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 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
SCHEMBL8909141 0.90 NR5A1 (0.48) NR5A1PTPN11CNR2THRATHRB
SCHEMBL30887235 0.86 NR5A1 (0.44) NR5A1PTPN11CNR2THRATHRB
SCHEMBL8385528 0.86 NR5A1 (0.44) NR5A1PTPN11CNR2THRATHRB
SCHEMBL7709567 0.84 TLR8 (0.36) CNR2TP53TSHR
SCHEMBL8909196 0.84 RARB (0.40) NR5A1CNR2
SCHEMBL8975674 0.84 PTPN11 (0.47) NR5A1PTPN11PLA2G4BTP53TSHR
SCHEMBL16107212 0.81 PLK1 (0.36) NR5A1PTPN11CNR2PLA2G4B
SCHEMBL31582510 0.81 PDK2 (0.38) NR5A1PTPN11CNR2TP53
SCHEMBL8387250 0.81 TSHR (0.41) NR5A1PTPN11CNR2THRATHRB
SCHEMBL8383367 0.81 POLB (0.47) NR5A1PTPN11CNR2THRATHRB

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-5869588-A UV ABSORBERS CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-02-09 — — US disclosed