SCHEMBL9427490

SCHEMBL9427490

O=C=C(C1CCc2c(cccc2C(=O)C(=O)O)C1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
S1PR5 Q9H228 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
DRD2 P14416 6/20 0.35
DRD3 P35462 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ACHE P22303 1/20 0.35
TSHR P16473 2/20 0.34
DRD1 P21728 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
NFKB1 P19838 1/20 0.34
THPO P40225 1/20 0.34
DRD4 P21917 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9050149 0.79 GHSR (0.33) LMNADRD2DRD3CA1CA2
SCHEMBL9427171 0.77 PTGIR (0.39) MEN1KMT2AS1PR5KDM4EGAA
SCHEMBL9049907 0.71 MTNR1A (0.33) DRD2DRD3CA1CA2ACHE
SCHEMBL9046598 0.70 POLB (0.41) KMT2APTGIR
SCHEMBL9047644 0.69 PTGIR (0.36) KMT2ALMNADRD2DRD3TSHR
SCHEMBL9045869 0.69 LMNA (0.51) MEN1KMT2AGAALMNAALDH1A1
SCHEMBL9050455 0.69 DRD2 (0.39) LMNADRD2DRD3TSHRDRD1
SCHEMBL9046065 0.68 DRD2 (0.38) LMNADRD2DRD3TSHRDRD1
SCHEMBL9050858 0.68 ALDH1A1 (0.41) ALDH1A1HTT
SCHEMBL9048669 0.67 MEN1 (0.42) MEN1KMT2AKDM4EGAALMNA

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-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed