SCHEMBL9567971

SCHEMBL9567971

O=C(CC1CCCc2ccccc21)NCC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
UGCG Q16739 1/20 0.48
ALDH1A1 P00352 1/20 0.46
KDM4C Q9H3R0 3/20 0.45
KDM5A P29375 2/20 0.45
KDM5B Q9UGL1 2/20 0.45
PDPK1 O15530 1/20 0.45
DHODH Q02127 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.44
BCHE P06276 3/20 0.44
TRPV1 Q8NER1 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MTNR1B P49286 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
SCHEMBL9567955 0.89 CNR1 (0.48) PRMT5WDR77UGCGALDH1A1KDM4C
SCHEMBL9568077 0.88 TRPV1 (0.46) ALDH1A1KDM4CKDM5AKDM5BPDPK1
SCHEMBL9568039 0.85 UGCG (0.52) PRMT5WDR77UGCGALDH1A1KDM4C
SCHEMBL9567986 0.81 UGCG (0.50) PRMT5WDR77UGCGALDH1A1KDM4C
SCHEMBL9568008 0.80 ALDH1A1 (0.51) UGCGALDH1A1KDM4CKDM5AKDM5B
SCHEMBL9567989 0.79 PRMT5 (0.60) PRMT5WDR77ALDH1A1DHODHL3MBTL1
SCHEMBL30301824 0.79 FFAR1 (0.52) ALDH1A1KDM4CKDM5AKDM5BL3MBTL1
SCHEMBL3590904 0.79 FFAR1 (0.52) ALDH1A1KDM4CKDM5AKDM5BL3MBTL1
SCHEMBL9048158 0.78 PTGIR (0.62) KDM4C
SCHEMBL9568037 0.77 CNR1 (0.46) ALDH1A1KDM4CKDM5AKDM5BPDPK1

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