SCHEMBL8433658

SCHEMBL8433658

CCCCCCCCCCOc1ccc(C(=O)N[C@H]2[C@@H](OC)O[C@@H]3COC(C)(C)O[C@H]3[C@@H]2O)cc1OCCCCCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMPD1 P17405 6/20 0.44
▸ CNR2 P34972 4/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.36
▸ THRA P10827 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ LGALS3 P17931 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL8431463 0.89 CNR2 (0.39) SMPD1CNR2HDAC3HDAC1HDAC2
SCHEMBL8436422 0.81 S1PR2 (0.31) —
SCHEMBL8436423 0.81 S1PR2 (0.31) —
SCHEMBL9511501 0.79 L3MBTL1 (0.40) SMPD1CNR2HDAC3HDAC1HDAC2
SCHEMBL8435577 0.77 L3MBTL1 (0.39) SMPD1CNR2THRA
SCHEMBL8434091 0.77 L3MBTL1 (0.37) CNR2HDAC1HDAC2
SCHEMBL8435107 0.76 TLR4 (0.36) CNR2HDAC1HDAC2
SCHEMBL10209192 0.74 ALDH1A1 (0.40) THRBLGALS3CA1CA2CA9
SCHEMBL10419023 0.72 CA1 (0.47) SMPD1CNR2LGALS3CA1CA2
SCHEMBL10419025 0.72 CA1 (0.47) SMPD1CNR2LGALS3CA1CA2

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
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