SCHEMBL10455503

SCHEMBL10455503

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SRD5A2 P31213 2/20 0.39
▸ RORC P51449 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GSTP1 P09211 1/20 0.36
▸ CES1 P23141 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ CES2 O00748 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36

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
SCHEMBL10455812 0.88 ALDH1A1 (0.42) POLBMAPTTDP1RORCKDM4E
SCHEMBL10454495 0.86 RORC (0.40) POLBMAPK1MAPTTDP1RORC
SCHEMBL9765552 0.86 RORC (0.41) MAPK1MAPTRORCKDM4E
SCHEMBL10455483 0.86 RORC (0.41) MAPK1MAPTRORCKDM4E
SCHEMBL10455777 0.85 CCR3 (0.44) RORCALDH1A1
SCHEMBL10455486 0.85 RORC (0.41) RORC
SCHEMBL10455473 0.83 KMT2A (0.44) POLBMAPK1MAPTNPSR1GAA
SCHEMBL10455505 0.81 MAPK1 (0.38) POLBMAPK1MAPTTDP1NPSR1
SCHEMBL10455645 0.78 BTK (0.41) RORC
SCHEMBL10455763 0.78 RORC (0.41) RORC

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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