SCHEMBL4266779

SCHEMBL4266779

CC(=O)OOc1ccccc1CCCNC(CC(c1ccccc1)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ADRB2 P07550 8/20 0.36
▸ ADRB1 P08588 5/20 0.36
▸ HAT1 O14929 1/20 0.35
▸ EP300 Q09472 1/20 0.35
▸ GGT1 P19440 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL4271051 0.83 L3MBTL1 (0.41) ADRB2ADRB1L3MBTL1
SCHEMBL4275377 0.82 MTNR1A (0.35) MTNR1AMTNR1BALDH1A1GGT1
SCHEMBL4272582 0.81 PTGDR2 (0.42) MTNR1AMTNR1BHAT1EP300GGT1
SCHEMBL4274206 0.80 HRH1 (0.36) MTNR1AMTNR1BADRB2ADRB1HAT1
SCHEMBL4266788 0.74 PTGDR2 (0.52) ALDH1A1
SCHEMBL4281834 0.73 RAB9A (0.42) MTNR1AMTNR1BALDH1A1ADRB1
SCHEMBL4275189 0.73 MTNR1A (0.42) MTNR1AMTNR1BADRB2ADRB1
SCHEMBL4421324 0.71 OXER1 (0.41) ALDH1A1HAT1EP300TDP1L3MBTL1
SCHEMBL4424045 0.70 MCL1 (0.48) ALDH1A1
SCHEMBL10790278 0.70 THRA (0.50) MTNR1AMTNR1B

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
EP-2094662-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS Astellas Pharma Inc. (JP) 2009-09-02 — — EP disclosed
WO-2008072784-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2008-06-19 — — WO disclosed
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