SCHEMBL8434749

SCHEMBL8434749

O=C(C[C@H](CCCCCCc1ccccc1)OC(=O)CCCCCCCCc1ccccc1)N[C@H]1[C@H](OCc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CCCCCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 12/20 0.49
▸ LGALS8 O00214 1/20 0.42
▸ SYNJ2 O15056 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ ALPL P05186 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALPI P09923 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALPG P10696 1/20 0.42
▸ PABPC1 P11940 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ GALK1 P51570 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ RIN1 Q13671 1/20 0.42
▸ EIF4H Q15056 1/20 0.42
▸ MCHR1 Q99705 2/20 0.41

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
SCHEMBL8432743 1.00 TLR4 (0.49) TLR4LGALS8SYNJ2KDM4EABL1
SCHEMBL8432746 1.00 TLR4 (0.49) TLR4LGALS8SYNJ2KDM4EABL1
SCHEMBL8436288 0.96 TLR4 (0.54) TLR4
SCHEMBL8431958 0.96 TLR4 (0.54) TLR4
SCHEMBL10418883 0.96 TLR4 (0.54) TLR4MCHR1
SCHEMBL8431429 0.94 TLR4 (0.53) TLR4LGALS8MCHR1
SCHEMBL6807622 0.93 TLR4 (0.57) TLR4LGALS8
SCHEMBL6800991 0.93 TLR4 (0.57) TLR4LGALS8
SCHEMBL6795483 0.93 TLR4 (0.57) TLR4LGALS8
SCHEMBL6807623 0.93 TLR4 (0.57) TLR4LGALS8

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-RE36385-E TREATMENT OF TUMORS, ENHANCING IMMUNITY ONO PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 — — US disclosed
US-4925929-A ANTITUMOR AGENTS ONO PHARMACEUTICAL CO. LTD. (JP) 1990-05-15 — — US disclosed
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