SCHEMBL10455505

SCHEMBL10455505

O=C(c1ccc(O[C@H]2CC[C@H](C(=O)O)C2)cc1)c1ccc([N+](=O)[O-])c(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.37
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ PAX8 Q06710 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HCAR3 P49019 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EPHX2 P34913 4/20 0.34
▸ FAAH O00519 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
SCHEMBL10455778 0.83 RORC (0.38) TDP1ALDH1A1LMNAKMT2AEPHX2
SCHEMBL10455487 0.83 EPHX2 (0.39) EPHX2FAAHDGAT1ELANE
SCHEMBL10455503 0.81 POLB (0.40) MAPK1MAPTTDP1POLBNPSR1
SCHEMBL10455484 0.80 KMT2A (0.42) ALDH1A1KMT2AL3MBTL1EPHX2FAAH
SCHEMBL10455517 0.80 KMT2A (0.42) ALDH1A1KMT2AL3MBTL1EPHX2FAAH
SCHEMBL10454525 0.78 KMT2A (0.53) POLBKMT2AEPHX2FAAHDGAT1
SCHEMBL10454523 0.77 MAPT (0.54) MAPK1MAPTTDP1POLBNPSR1
SCHEMBL10455473 0.77 KMT2A (0.44) MAPK1MAPTPOLBNPSR1GAA
SCHEMBL10455809 0.75 EPHX2 (0.43) TDP1POLBALDH1A1LMNAEPHX2
SCHEMBL10454495 0.75 RORC (0.40) MAPK1MAPTTDP1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210772-B1 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 — — EP claimed
EP-0210772-A2 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1987-02-04 — — EP claimed
EP-0210772-B1 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 — — EP disclosed
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