SCHEMBL10454505

SCHEMBL10454505

O=C(c1ccccc1F)c1ccccc1O[C@H]1CC[C@H](C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIK1 P39086 2/20 0.44
▸ GRIA2 P42262 2/20 0.44
▸ LPAR1 Q92633 1/20 0.42
▸ LPAR5 Q9H1C0 1/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.38
▸ SLC6A1 P30531 2/20 0.37
▸ S1PR5 Q9H228 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL10455787 0.86 RORC (0.39) GRIK1GRIA2LPAR1LPAR5AKR1C3
SCHEMBL10454526 0.86 GRIK1 (0.47) GRIK1GRIA2EPHX2AKR1C3AKR1C1
SCHEMBL10454504 0.82 ELANE (0.43) LPAR1LPAR5EPHX2AKR1C3AKR1C1
SCHEMBL10455519 0.82 P2RX7 (0.43) GRIK1GRIA2EPHX2AKR1C3AKR1C1
SCHEMBL10455761 0.82 P2RX7 (0.43) GRIK1GRIA2EPHX2AKR1C3AKR1C1
SCHEMBL10455774 0.82 P2RX7 (0.43) GRIK1GRIA2EPHX2AKR1C3AKR1C1
SCHEMBL10455655 0.82 AR (0.42) GRIK1GRIA2LPAR1LPAR5LMNA
SCHEMBL10455805 0.81 S1PR5 (0.42) GRIK1GRIA2EPHX2AKR1C3AKR1C1
SCHEMBL10455810 0.81 GRIK1 (0.43) GRIK1GRIA2EPHX2AKR1C3AKR1C1
SCHEMBL16506413 0.78 LPAR1 (0.57) GRIK1GRIA2LPAR1LPAR5RXFP1

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 5 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
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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