SCHEMBL8436534

SCHEMBL8436534

CC1(C)OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](NC(=O)C(CCCCCCCc3ccccc3)OC(=O)CCCCCCCCc3ccccc3)[C@@H](OC(=O)CCCCCCCCc3ccccc3)[C@@H]2O1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ FAAH O00519 4/20 0.33
▸ MCHR1 Q99705 2/20 0.32
▸ NAAA Q02083 2/20 0.32
▸ LPAR1 Q92633 3/20 0.31
▸ FDFT1 P37268 1/20 0.31
▸ SELP P16109 1/20 0.31

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
SCHEMBL8436537 0.89 TLR4 (0.40) L3MBTL1MCHR1LPAR1
SCHEMBL8432989 0.89 TLR4 (0.40) L3MBTL1MCHR1LPAR1
SCHEMBL8432987 0.89 TLR4 (0.40) L3MBTL1MCHR1LPAR1
SCHEMBL8435522 0.87 TLR4 (0.44) L3MBTL1FDFT1SELP
SCHEMBL8433665 0.87 TLR4 (0.44) L3MBTL1FDFT1SELP
SCHEMBL8434486 0.87 TLR4 (0.44) L3MBTL1FDFT1SELP
SCHEMBL8431677 0.87 TLR4 (0.44) L3MBTL1FDFT1SELP
SCHEMBL9301025 0.84 L3MBTL1 (0.53) L3MBTL1FAAHSELP
SCHEMBL6800462 0.83 TLR4 (0.46) L3MBTL1SELP
SCHEMBL6800467 0.83 TLR4 (0.46) L3MBTL1SELP

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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