SCHEMBL10454520

SCHEMBL10454520

O=C(c1ccccc1)c1ccc(O[C@H]2CC[C@H](C(=O)O)C2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSL1 P33121 5/20 0.43
▸ ACSL3 O95573 1/20 0.42
▸ ACSL6 Q9UKU0 1/20 0.42
▸ ELANE P08246 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ GRIK1 P39086 1/20 0.40
▸ GRIA2 P42262 1/20 0.40
▸ MAPK13 O15264 1/20 0.39
▸ MAPK12 P53778 1/20 0.39
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ HRH1 P35367 4/20 0.39
▸ CCR3 P51677 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ PGR P06401 1/20 0.39

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
SCHEMBL10454525 0.88 KMT2A (0.53) ACSL1ACSL3ACSL6ELANEKMT2A
SCHEMBL10454523 0.87 MAPT (0.54) KMT2AMAPTRAB9AGRIK1GRIA2
SCHEMBL10455651 0.86 ACSL1 (0.43) ACSL1ACSL3ACSL6ELANEMAPT
SCHEMBL10454502 0.85 ACSL1 (0.43) ACSL1ACSL3ACSL6KMT2AMAPT
SCHEMBL10455781 0.82 ELANE (0.57) ACSL1ACSL3ACSL6ELANEALDH1A1
SCHEMBL10455484 0.81 KMT2A (0.42) ELANEKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL10455517 0.81 KMT2A (0.42) ELANEKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL10455809 0.80 EPHX2 (0.43) ACSL1ACSL3ACSL6ELANEALDH1A1
SCHEMBL9765552 0.80 RORC (0.41) ACSL1ELANEMAPTGRIK1GRIA2
SCHEMBL10455483 0.80 RORC (0.41) ACSL1ELANEMAPTGRIK1GRIA2

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