SCHEMBL8435577

SCHEMBL8435577

CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](NC(=O)c2ccc(OCCCCCCCCCC)c(OCCCCCCCCCC)c2)[C@H](OCc2ccccc2)O[C@@H]2COC(C)(C)O[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR2 P34972 5/20 0.36
▸ SMPD1 P17405 6/20 0.35
▸ BCHE P06276 1/20 0.34
▸ FAAH O00519 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ SELP P16109 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ HNF4A P41235 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ THRA P10827 1/20 0.33

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
SCHEMBL9511501 0.93 L3MBTL1 (0.40) L3MBTL1CNR2SMPD1BCHEBRD4
SCHEMBL8431463 0.89 CNR2 (0.39) L3MBTL1CNR2SMPD1BRD4
SCHEMBL10418920 0.82 TLR4 (0.41) L3MBTL1CNR2BCHECNR1SELP
SCHEMBL8434876 0.81 TLR4 (0.43) SMPD1SELP
SCHEMBL8434878 0.81 TLR4 (0.43) SMPD1SELP
SCHEMBL6800462 0.80 TLR4 (0.46) L3MBTL1BCHESELP
SCHEMBL6800467 0.80 TLR4 (0.46) L3MBTL1BCHESELP
SCHEMBL8435107 0.80 TLR4 (0.36) CNR2CNR1
SCHEMBL8436204 0.80 TLR4 (0.42) L3MBTL1BCHESELP
SCHEMBL8436202 0.80 TLR4 (0.42) L3MBTL1BCHESELP

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 4 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
EP-0288888-B1 Novel glucopyranose derivatives ONO PHARMACEUTICAL CO (JP) 1993-12-08 — — EP disclosed
US-4925929-A ANTITUMOR AGENTS ONO PHARMACEUTICAL CO. LTD. (JP) 1990-05-15 — — US disclosed
EP-0288888-A2 Novel glucopyranose derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1988-11-02 — — EP disclosed
Send feedback