SCHEMBL9567955

SCHEMBL9567955

O=C(CC1CCCc2ccccc21)NCCC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.48
ALDH1A1 P00352 1/20 0.46
UGCG Q16739 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
EPHX2 P34913 2/20 0.45
DHODH Q02127 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
CNR2 P34972 3/20 0.44
CASR P41180 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
HTT P42858 1/20 0.43
KDM4C Q9H3R0 3/20 0.43
KDM5A P29375 2/20 0.43
KDM5B Q9UGL1 2/20 0.43
PDPK1 O15530 1/20 0.43

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
SCHEMBL9567971 0.89 PRMT5 (0.53) ALDH1A1UGCGPRMT5WDR77DHODH
SCHEMBL9568037 0.88 CNR1 (0.46) CNR1ALDH1A1EPHX2DHODHL3MBTL1
SCHEMBL9568039 0.81 UGCG (0.52) ALDH1A1UGCGPRMT5WDR77L3MBTL1
SCHEMBL9568169 0.81 PRMT5 (0.52) CNR1ALDH1A1PRMT5WDR77EPHX2
SCHEMBL9049270 0.79 PTGIR (0.59)
SCHEMBL9567986 0.79 UGCG (0.50) ALDH1A1UGCGPRMT5WDR77DHODH
SCHEMBL9568077 0.77 TRPV1 (0.46) ALDH1A1DHODHL3MBTL1MTNR1AMTNR1B
SCHEMBL9568008 0.77 ALDH1A1 (0.51) ALDH1A1UGCGEPHX2HTTKDM4C
SCHEMBL3590904 0.76 FFAR1 (0.52) ALDH1A1L3MBTL1HTTKDM4CKDM5A
SCHEMBL30301824 0.76 FFAR1 (0.52) ALDH1A1L3MBTL1HTTKDM4CKDM5A

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