SCHEMBL17360626

SCHEMBL17360626

c1ccc(Cc2ccccc2-c2cccc3ccccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR55 Q9Y2T6 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTR2A P28223 1/20 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
SCHEMBL25403651 0.86 — —
SCHEMBL147085 0.84 CYP2C19 (0.54) GPR55TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL31738884 0.84 CYP2C19 (0.54) GPR55TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL6229874 0.83 CALM1 (0.58) MEN1KMT2AHPGDHTR2A
SCHEMBL7918865 0.82 CYP2C19 (0.52) GPR55TDP1CYP1A2CYP2C9CYP2C19
Hydrogen Sulfide SCHEMBL28838423 0.82 CYP2C19 (0.52) GPR55TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL7918863 0.82 CYP2C19 (0.52) GPR55TDP1CYP1A2CYP2C9CYP2C19
SCHEMBL29040201 0.81 CALM1 (0.55) MEN1KMT2AHPGDHTR2A
SCHEMBL29111442 0.80 GPR55 (0.44) GPR55
Methane SCHEMBL27919160 0.80 CYP2C19 (0.50) GPR55TDP1CYP1A2CYP2C9CYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143763-A1 ORALLY ADMINISTERED ADSORBENT, THERAPEUTIC AGENT FOR RENAL DISEASE, AND THERAPEUTIC AGENT FOR LIVER DISEASE KUREHA CORPORATION (JP) 2017-05-25 — — US disclosed
US-20160000827-A1 ORALLY ADMINISTERED ADSORBENT, THERAPEUTIC AGENT FOR RENAL DISEASE, AND THERAPEUTIC AGENT FOR LIVER DISEASE KUREHA CORPORATION (JP) 2016-01-07 — — US disclosed
US-20150374743-A1 ORALLY ADMINISTERED ADSORBENT, THERAPEUTIC AGENT FOR RENAL DISEASE, AND THERAPEUTIC AGENT FOR LIVER DISEASE KUREHA CORPORATION (JP) 2015-12-31 — — US disclosed
EP-2959906-A1 ORALLY ADMINISTERED ADSORBENT, THERAPEUTIC AGENT FOR RENAL DISEASE, AND THERAPEUTIC AGENT FOR LIVER DISEASE Kureha Corporation (JP) 2015-12-30 — — EP disclosed
EP-2959905-A1 ORALLY ADMINISTERED ADSORBENT, THERAPEUTIC AGENT FOR RENAL DISEASE, AND THERAPEUTIC AGENT FOR LIVER DISEASE Kureha Corporation (JP) 2015-12-30 — — EP disclosed
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