SCHEMBL4271815

SCHEMBL4271815

CC(=O)Oc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccsc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 2/20 0.61
▸ MAPT P10636 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LPAR1 Q92633 6/20 0.41
▸ CASR P41180 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PLIN1 O60240 1/20 0.38
▸ GSTO1 P78417 1/20 0.38
▸ PLIN5 Q00G26 1/20 0.38
▸ ABHD5 Q8WTS1 1/20 0.38
▸ CHRM2 P08172 1/20 0.38

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
SCHEMBL4271817 0.91 PTGDR2 (0.59) PTGDR2MAPTALDH1A1LPAR1CASR
SCHEMBL4272587 0.90 PTGDR2 (0.74) PTGDR2MAPTALDH1A1LPAR1CASR
SCHEMBL3174262 0.87 PTGDR2 (0.82) PTGDR2LPAR1CASR
SCHEMBL4272486 0.87 PTGDR2 (0.66) PTGDR2MAPTALDH1A1LPAR1CASR
SCHEMBL4273938 0.86 PTGDR2 (0.61) PTGDR2MAPTALDH1A1CASRSMN1; SMN2
SCHEMBL4266983 0.86 PTGDR2 (0.65) PTGDR2MAPTALDH1A1LPAR1CASR
SCHEMBL4274292 0.86 PTGDR2 (0.65) PTGDR2MAPTALDH1A1LPAR1CASR
SCHEMBL4272063 0.86 PTGDR2 (0.78) PTGDR2MAPTALDH1A1LPAR1CASR
SCHEMBL4276645 0.85 PTGDR2 (0.56) PTGDR2MAPTALDH1A1CASRSMN1; SMN2
SCHEMBL4274221 0.84 PTGDR2 (0.67) PTGDR2MAPTALDH1A1CASRBCHE

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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