SCHEMBL4281834

SCHEMBL4281834

CC(=O)Nc1cccc(C(=O)C(CC(c2ccccc2)c2ccccc2)NCCCc2cccc(OOC(C)=O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ BRAF P15056 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ ADRB3 P13945 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ CASR P41180 2/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ NR1H4 Q96RI1 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL4272582 0.91 PTGDR2 (0.42) KMT2AMEN1MTNR1AMTNR1BPTGDR2
SCHEMBL4273827 0.88 PTGDR2 (0.51) RAB9AKMT2AMEN1MAPTHTT
SCHEMBL4281914 0.81 MTNR1A (0.40) MTNR1AMTNR1BPTGDR2
SCHEMBL4281837 0.80 PTGDR2 (0.59) RAB9AKMT2AMEN1CASRPTGDR2
SCHEMBL4275416 0.76 PTGDR2 (0.60) PTGDR2
SCHEMBL4268708 0.74 KCNH2 (0.56) MTNR1AMTNR1BCASRPTGDR2
SCHEMBL4266779 0.73 MTNR1A (0.37) ALDH1A1ADRB1MTNR1AMTNR1B
SCHEMBL4273831 0.71 PTGDR2 (0.61) RAB9AKMT2AMEN1CASRPTGDR2
SCHEMBL4274289 0.71 PTGDR2 (0.53) PTGDR2
SCHEMBL4272589 0.71 PTGDR2 (0.71) RAB9AKMT2AMEN1LMNAMAPT

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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