SCHEMBL9568071

SCHEMBL9568071

O=C(CC1CCc2ccccc2C1)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
UGCG Q16739 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 4/20 0.46
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
PREP P48147 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
DGAT1 O75907 1/20 0.43
HPGD P15428 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL9568049 0.90 TBXAS1 (0.44) SLC6A4SLC6A3UGCGALDH1A1KMT2A
SCHEMBL9567978 0.87 ALDH1A1 (0.46) SLC6A4SLC6A3ALDH1A1KMT2ALMNA
SCHEMBL9048134 0.82 PTGIR (0.45) SLC6A4SLC6A3UGCGALDH1A1KMT2A
SCHEMBL9567956 0.81 UGCG (0.48) UGCGMTNR1AMTNR1BPREPDGAT1
SCHEMBL9568007 0.81 CNR1 (0.50) UGCGMTNR1AMTNR1BPREPPRMT5
SCHEMBL9048143 0.80 PTGIR (0.70)
SCHEMBL9048138 0.80 PTGIR (0.52) SLC6A4SLC6A3ALDH1A1
SCHEMBL8713442 0.79 MTNR1A (0.52) UGCGMTNR1AMTNR1BPREPDGAT1
SCHEMBL9567998 0.78 PRMT5 (0.49) SLC6A4SLC6A3UGCGALDH1A1KMT2A
SCHEMBL7292707 0.78 DGAT1 (0.58) ALDH1A1MTNR1AMTNR1BPREPDGAT1

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