SCHEMBL10455500

SCHEMBL10455500

O=C(c1ccc(O[C@H]2CC[C@H](C(=O)O)C2)cc1)c1c(Cl)c(Cl)cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACSL1 P33121 3/20 0.41
▸ ACSL3 O95573 1/20 0.41
▸ ACSL6 Q9UKU0 1/20 0.41
▸ ELANE P08246 1/20 0.38
▸ DGAT1 O75907 3/20 0.37
▸ EPHX2 P34913 6/20 0.36
▸ FAAH O00519 2/20 0.36
▸ OPRK1 P41145 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ S1PR5 Q9H228 2/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RORC P51449 4/20 0.34
▸ RAF1 P04049 1/20 0.34

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
SCHEMBL10455809 0.82 EPHX2 (0.43) ACSL1ACSL3ACSL6ELANEDGAT1
SCHEMBL10454525 0.80 KMT2A (0.53) ACSL1ACSL3ACSL6ELANEDGAT1
SCHEMBL10455781 0.79 ELANE (0.57) ACSL1ACSL3ACSL6ELANEDGAT1
SCHEMBL10455484 0.78 KMT2A (0.42) ELANEDGAT1EPHX2FAAHCYP2C19
SCHEMBL10455517 0.78 KMT2A (0.42) ELANEDGAT1EPHX2FAAHCYP2C19
SCHEMBL10454520 0.76 ACSL1 (0.43) ACSL1ACSL3ACSL6ELANEKCNH2
SCHEMBL10455806 0.76 ELANE (0.45) ELANEEPHX2FAAH
SCHEMBL10454502 0.75 ACSL1 (0.43) ACSL1ACSL3ACSL6KCNH2
SCHEMBL10454523 0.75 MAPT (0.54) EPHX2FAAH
SCHEMBL26857799 0.74 AKR1C3 (0.51) ACSL1ACSL3ACSL6DGAT1EPHX2

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-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
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