SCHEMBL10454504

SCHEMBL10454504

O=C(c1ccc(O[C@H]2CC[C@H](C(=O)O)C2)cc1)c1ccccc1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.43
▸ DGAT1 O75907 5/20 0.41
▸ EPHX2 P34913 5/20 0.40
▸ FAAH O00519 2/20 0.40
▸ ACSL1 P33121 2/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ ACSL3 O95573 1/20 0.38
▸ ACSL6 Q9UKU0 1/20 0.38
▸ LPAR1 Q92633 1/20 0.38
▸ LPAR5 Q9H1C0 1/20 0.38
▸ SRD5A1 P18405 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C1 Q04828 1/20 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
SCHEMBL10455651 0.87 ACSL1 (0.43) ELANEDGAT1EPHX2ACSL1SRD5A2
SCHEMBL10454525 0.86 KMT2A (0.53) ELANEDGAT1EPHX2FAAHACSL1
SCHEMBL10455781 0.86 ELANE (0.57) ELANEDGAT1EPHX2FAAHACSL1
SCHEMBL10454505 0.82 GRIK1 (0.44) EPHX2LPAR1LPAR5ALDH1A1KMT2A
SCHEMBL10455487 0.82 EPHX2 (0.39) ELANEDGAT1EPHX2FAAH
SCHEMBL10455517 0.82 KMT2A (0.42) ELANEDGAT1EPHX2FAAHALDH1A1
SCHEMBL10455484 0.82 KMT2A (0.42) ELANEDGAT1EPHX2FAAHALDH1A1
SCHEMBL10455757 0.81 ACSL1 (0.40) ELANEDGAT1EPHX2FAAHACSL1
SCHEMBL26857799 0.80 AKR1C3 (0.51) DGAT1EPHX2ACSL1ACSL3ACSL6
SCHEMBL10455653 0.80 ELANE (0.45) ELANEDGAT1EPHX2FAAHPOLB

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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