SCHEMBL9568094

SCHEMBL9568094

O=C(C1CCCc2ccccc21)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
EPHX2 P34913 2/20 0.47
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
XBP1 P17861 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
PSMB5 P28074 1/20 0.43
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
P2RX3 P56373 2/20 0.42
P2RX2 Q9UBL9 2/20 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
SCHEMBL9568031 0.81 MEN1 (0.44) MEN1KMT2AALDH1A1HTT
SCHEMBL9048669 0.79 MEN1 (0.42) MEN1KMT2AALDH1A1HTTTSHR
SCHEMBL9567965 0.78 KDM4C (0.48) MEN1KMT2AEPHX2ALDH1A1HTT
SCHEMBL31613080 0.78 ALDH1A1 (0.52) ALDH1A1HTTXBP1PTGDR2RAB9A
SCHEMBL29706163 0.77 HTT (0.54) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL2792830 0.77 HTT (0.54) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL29608780 0.77 HTT (0.54) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL29484110 0.77 HTT (0.54) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL2796237 0.77 HTT (0.54) MEN1KMT2AALDH1A1HTTRAB9A
SCHEMBL242244 0.77 HTT (0.54) MEN1KMT2AALDH1A1HTTRAB9A

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