SCHEMBL10454503

SCHEMBL10454503

O=C(c1ccccc1)c1ccc(O[C@H]2CC[C@H](C(=O)O)C2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ ELANE P08246 2/20 0.43
▸ LPAR1 Q92633 1/20 0.43
▸ LPAR5 Q9H1C0 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL10454524 0.85 EPHX2 (0.44) ELANEGAAHPGDCYP1A2CYP2D6
SCHEMBL10455781 0.80 ELANE (0.57) OPRK1KCNH2ELANEGAALMNA
SCHEMBL10455653 0.80 ELANE (0.45) ELANEGAAHPGDTSHRLMNA
SCHEMBL10455655 0.78 AR (0.42) LPAR1LPAR5NPC1RAB9ALMNA
SCHEMBL10455651 0.77 ACSL1 (0.43) ELANEHPGDMAPK1LMNAALDH1A1
SCHEMBL10455456 0.77 KMT2A (0.44) ELANEHPGDMAPK1ALOX15LMNA
SCHEMBL9765552 0.76 RORC (0.41) ELANEMAPK1ALOX15MAPTHSD17B10
SCHEMBL10454504 0.76 ELANE (0.43) ELANELPAR1LPAR5ALDH1A1DGAT1
SCHEMBL10455506 0.76 S1PR5 (0.40) OPRK1KCNH2ELANEMAPK1ALOX15
SCHEMBL10455483 0.76 RORC (0.41) ELANEMAPK1ALOX15MAPTHSD17B10

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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