SCHEMBL6180601

SCHEMBL6180601

Cc1nc(Br)c(/C=C/C(=O)O)n1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.45
PTGFR P43088 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
PTGIR P43119 1/20 0.45
PTGDR Q13258 1/20 0.45
PPARG P37231 1/20 0.42
ALDH1A1 P00352 4/20 0.41
VDR P11473 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
POLB P06746 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6180604 1.00 TBXA2R (0.45) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL6185200 0.89 TBXA2R (0.46) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL6185207 0.89 TBXA2R (0.46) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5672562 0.84 HTT (0.36) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL5672570 0.84 HTT (0.36) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL6180616 0.84 TBXA2R (0.47) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL6180618 0.84 TBXA2R (0.47) TBXA2RPTGFRPTGER3PTGER2PTGIR
SCHEMBL6181220 0.83 VDR (0.50) PPARGALDH1A1VDRLMNASMN1; SMN2
SCHEMBL5673070 0.82 HDAC8 (0.39) PPARGHDAC8
SCHEMBL5673821 0.82 TBXA2R (0.35) TBXA2RPTGFRPTGER3PTGER2PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000932-B9 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-12-28 EP disclosed
EP-1000932-B1 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2004-09-15 EP disclosed
US-6242474-B1 SULFONYLCARBAMOYLALKYLIMIDAZOLE DERIVATIVES; ANTIDIABETIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-05 US disclosed
EP-1000932-A1 AROMATIC RING DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-05-17 EP disclosed