SCHEMBL4271817

SCHEMBL4271817

CC(=O)OOc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccsc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 4/20 0.59
▸ LPAR1 Q92633 6/20 0.40
▸ CASR P41180 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ LPAR5 Q9H1C0 3/20 0.36
▸ FDFT1 P37268 1/20 0.35
▸ PLIN1 O60240 1/20 0.35
▸ GSTO1 P78417 1/20 0.35
▸ PLIN5 Q00G26 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
SCHEMBL4271815 0.91 PTGDR2 (0.61) PTGDR2LPAR1CASRALDH1A1MAPT
SCHEMBL4272589 0.91 PTGDR2 (0.71) PTGDR2LPAR1CASRALDH1A1MAPT
SCHEMBL4266987 0.86 PTGDR2 (0.63) PTGDR2LPAR1CASRALDH1A1MAPT
SCHEMBL4275484 0.86 PTGDR2 (0.63) PTGDR2LPAR1CASRALDH1A1MAPT
SCHEMBL3174262 0.85 PTGDR2 (0.82) PTGDR2LPAR1CASR
SCHEMBL4275413 0.84 PTGDR2 (0.60) PTGDR2LPAR1CASRLMNAHTT
SCHEMBL4281837 0.83 PTGDR2 (0.59) PTGDR2CASRMEN1RAB9AKMT2A
SCHEMBL4283351 0.83 PTGDR2 (0.59) PTGDR2LPAR1CASRALDH1A1MAPT
SCHEMBL4272587 0.81 PTGDR2 (0.74) PTGDR2LPAR1CASRALDH1A1MAPT
SCHEMBL4281919 0.80 PTGDR2 (0.52) PTGDR2CASRALDH1A1MAPTMEN1

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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