SCHEMBL10455761

SCHEMBL10455761

O=C(c1ccccc1O[C@@H]1CC[C@@H](C(=O)O)C1)c1cccc(Cl)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.43
▸ GRIK1 P39086 2/20 0.42
▸ GRIA2 P42262 2/20 0.42
▸ TSHR P16473 1/20 0.41
▸ SLC6A4 P31645 3/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ S1PR5 Q9H228 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ RORC P51449 3/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ BTK Q06187 1/20 0.37

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
SCHEMBL10455519 1.00 P2RX7 (0.43) P2RX7GRIK1GRIA2TSHRSLC6A4
SCHEMBL10455774 1.00 P2RX7 (0.43) P2RX7GRIK1GRIA2TSHRSLC6A4
SCHEMBL10454526 0.91 GRIK1 (0.47) GRIK1GRIA2SLC6A4KCNH2SLC6A2
SCHEMBL10455810 0.89 GRIK1 (0.43) GRIK1GRIA2SLC6A4KCNH2SLC6A2
SCHEMBL10455645 0.84 BTK (0.41) GRIK1GRIA2RAB9AS1PR5AKR1C3
SCHEMBL10454505 0.82 GRIK1 (0.44) GRIK1GRIA2KCNH2EPHX2RAB9A
SCHEMBL10455807 0.82 GRIK1 (0.41) GRIK1GRIA2
SCHEMBL10455805 0.82 S1PR5 (0.42) GRIK1GRIA2KCNH2EPHX2S1PR5
SCHEMBL10455517 0.82 KMT2A (0.42) P2RX7TSHREPHX2RORCNOTUM
SCHEMBL10455484 0.82 KMT2A (0.42) P2RX7TSHREPHX2RORCNOTUM

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