SCHEMBL9568049

SCHEMBL9568049

O=C(CC1CCc2ccccc2C1)NC(c1ccccc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.44
UGCG Q16739 1/20 0.44
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
POLB P06746 1/20 0.42
ADRB3 P13945 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP19A1 P11511 1/20 0.41
MAPT P10636 1/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
PREP P48147 4/20 0.40
KMT2A Q03164 1/20 0.40
TAOK1 Q7L7X3 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
SCHEMBL9568071 0.90 SLC6A4 (0.50) UGCGSLC6A4SLC6A3ALDH1A1PREP
SCHEMBL9048018 0.83 TBXAS1 (0.67) TBXAS1
SCHEMBL9567978 0.78 ALDH1A1 (0.46) SLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL9048134 0.74 PTGIR (0.45) UGCGSLC6A4SLC6A3ALDH1A1KMT2A
SCHEMBL9568029 0.73 TAOK1 (0.49) TBXAS1POLBALDH1A1CYP19A1KMT2A
SCHEMBL9568007 0.72 CNR1 (0.50) UGCGPREP
SCHEMBL9567956 0.72 UGCG (0.48) UGCGPREP
SCHEMBL9048138 0.72 PTGIR (0.52) TBXAS1SLC6A4SLC6A3ALDH1A1
SCHEMBL9048143 0.72 PTGIR (0.70) TBXAS1
SCHEMBL8713442 0.70 MTNR1A (0.52) UGCGCYP19A1PREP

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-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP claimed
EP-0542203-A2 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO., LTD. (JP) 1993-05-19 EP disclosed