SCHEMBL10455485

SCHEMBL10455485

O=C(c1ccc(O[C@H]2CC[C@H](C(=O)O)C2)c(Cl)c1Cl)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.42
▸ CNR1 P21554 9/20 0.42
▸ CDC25B P30305 2/20 0.41
▸ S1PR5 Q9H228 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RORC P51449 4/20 0.38

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
SCHEMBL10455645 0.88 BTK (0.41) S1PR5RAB9ARORC
SCHEMBL10455787 0.85 RORC (0.39) S1PR5KMT2ARORC
SCHEMBL10454493 0.85 RORC (0.43) S1PR5RORC
SCHEMBL9765552 0.84 RORC (0.41) S1PR5RORC
SCHEMBL10455483 0.84 RORC (0.41) S1PR5RORC
SCHEMBL10455763 0.83 RORC (0.41) S1PR5CYP2C9RORC
SCHEMBL10454502 0.82 ACSL1 (0.43) CNR2CNR1CDC25BMEN1KMT2A
SCHEMBL9765545 0.81 CNR2 (0.40) CNR2CNR1CDC25B
SCHEMBL9799893 0.81 CNR2 (0.40) CNR2CNR1CDC25B
SCHEMBL9799899 0.80 PYGL (0.36) CNR2CNR1CYP2C9KMT2A

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-0210772-B1 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 — — EP claimed
US-4916147-A 3-[(4-Aroyl) phenoxy (or phenylthio)]-cyclopentanecarboxylic acid analogues and treatment of cerebral edema therewith ONO PHARMACEUTICAL CO., LTD. (JP) 1990-04-10 — — US claimed
EP-0210772-B1 3-[(4-Aroyl)phenoxy(or phenylthio)]cyclopentanecarboxylic acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1990-06-06 — — EP disclosed
US-4916147-A 3-[(4-Aroyl) phenoxy (or phenylthio)]-cyclopentanecarboxylic acid analogues and treatment of cerebral edema therewith ONO PHARMACEUTICAL CO., LTD. (JP) 1990-04-10 — — US disclosed
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