SCHEMBL9048669

SCHEMBL9048669

O=C(O)C(=O)c1cccc2c1CCCC2C(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SLC6A5 Q9Y345 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
FABP4 P15090 2/20 0.35
FABP3 P05413 1/20 0.35

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
SCHEMBL9427323 0.82 SIGMAR1 (0.40) MEN1KMT2ASLC6A5TSHRMAPK1
SCHEMBL9048014 0.80 PTGIR (0.43) MEN1KMT2ASLC6A5ALDH1A1HTT
SCHEMBL9050858 0.80 ALDH1A1 (0.41) ALDH1A1HTT
SCHEMBL9568094 0.79 MEN1 (0.49) MEN1KMT2ATSHRALDH1A1HTT
SCHEMBL8858393 0.79 PTGIR (0.52)
SCHEMBL9427077 0.78 SIGMAR1 (0.44) MEN1KMT2ASLC6A5TSHRLMNA
SCHEMBL9047483 0.78 ACHE (0.40) MEN1KMT2AOXTRAVPR1A
SCHEMBL8858504 0.78 MEN1 (0.39) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL9047478 0.77 ACHE (0.41) MEN1KMT2AOXTRAVPR1A
SCHEMBL8858498 0.76 GHSR (0.45) MEN1KMT2AOXTRAVPR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP claimed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US claimed
EP-0542203-B1 Fused benzeneoxyacetic acid derivatives as PGl2 receptor agonists ONO PHARMACEUTICAL CO (JP) 1996-07-03 EP disclosed
US-5344836-A Fused benzeneoxyacetic acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed