SCHEMBL5672525

SCHEMBL5672525

CCc1nc(Cl)c(/C=C/C(=O)O)n1Cc1ccc(C=Cc2ccccc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.40
TBXA2R P21731 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGIR P43119 1/20 0.39
PTGDR Q13258 1/20 0.39
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HDAC1 Q13547 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
APP P05067 1/20 0.37
HDAC2 Q92769 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37

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
SCHEMBL5672522 1.00 SLC22A12 (0.40) SLC22A12TBXA2RPTGFRPTGER3PTGER2
SCHEMBL5672527 1.00 SLC22A12 (0.40) SLC22A12TBXA2RPTGFRPTGER3PTGER2
SCHEMBL5673802 0.89 HDAC1 (0.41) SLC22A12TBXA2RPTGFRPTGER3PTGER2
SCHEMBL5673799 0.89 HDAC1 (0.41) SLC22A12TBXA2RPTGFRPTGER3PTGER2
SCHEMBL5673807 0.89 HDAC1 (0.41) SLC22A12TBXA2RPTGFRPTGER3PTGER2
SCHEMBL27484475 0.86 ALDH1A1 (0.36) HDAC8HDAC6ALDH1A1HDAC1KDM4E
SCHEMBL5673828 0.86 HDAC8 (0.40) PTGER3HDAC8HDAC6HDAC1HDAC11
SCHEMBL5673822 0.86 HDAC8 (0.40) PTGER3HDAC8HDAC6HDAC1HDAC11
SCHEMBL5217887 0.85 HDAC8 (0.38) PTGER3HDAC8HDAC6HDAC1HDAC11
SCHEMBL5217906 0.85 HDAC8 (0.38) PTGER3HDAC8HDAC6HDAC1HDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060721-B1 Imidazole compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2006-06-13 US disclosed