SCHEMBL9765538

SCHEMBL9765538

O=C(O)CC[C@H](NC(=O)[C@H]1CC[C@H](Oc2ccc(C(=O)Cc3ccccc3)c(Cl)c2Cl)C1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.43
▸ NAALAD2 Q9Y3Q0 3/20 0.39
▸ FOLH1 Q04609 6/20 0.38
▸ LMNA P02545 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ PKLR P30613 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ KLKB1 P03952 1/20 0.34
▸ PRSS1 P07477 1/20 0.34
▸ PRSS2 P07478 1/20 0.34
▸ PRSS3 P35030 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
SCHEMBL9799890 1.00 POLB (0.43) POLBNAALAD2FOLH1LMNATDP1
SCHEMBL9799897 0.93 POLB (0.38) POLBLMNATDP1KLKB1PRSS1
SCHEMBL9765587 0.88 POLB (0.40) POLBNAALAD2FOLH1LMNATDP1
SCHEMBL9765550 0.88 POLB (0.40) POLBNAALAD2FOLH1LMNATDP1
SCHEMBL195323 0.88 POLB (0.40) POLBNAALAD2FOLH1LMNATDP1
SCHEMBL9765574 0.88 POLB (0.40) POLBNAALAD2FOLH1LMNATDP1
SCHEMBL9765570 0.88 POLB (0.40) POLBNAALAD2FOLH1LMNATDP1
SCHEMBL9765547 0.88 POLB (0.40) POLBNAALAD2FOLH1LMNATDP1
SCHEMBL9765588 0.85 POLB (0.38) POLBNAALAD2FOLH1LMNATDP1
SCHEMBL9765594 0.85 POLB (0.38) POLBNAALAD2FOLH1LMNATDP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5023268-A Therapy for cerebral edema ONO PHARMACEUTICAL CO., LTD. (JP) 1991-06-11 — — US disclosed
EP-0231619-B1 3-PHENOXY(OR PHENYLTHIO)CYCLOPENTANECARBONYLAMINO ACID ANALOGUES ONO PHARMACEUTICAL CO., LTD. (JP) 1991-03-06 — — EP disclosed
US-4888351-A TREATMENT OF CEREBRAL EDEMA ONO PHARMACEUTICAL CO., LTD. (JP) 1989-12-19 — — US disclosed
US-4829078-A CEREBRAL EDEMA ONO PHARMACEUTICAL CO., LTD. (JP) 1989-05-09 — — US disclosed
US-4783476-A 3-Phenoxy (or phenylthio)-cyclopentanecarbonylamino acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1988-11-08 — — US disclosed
EP-0231619-A2 3-Phenoxy(or phenylthio)cyclopentanecarbonylamino acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1987-08-12 — — EP disclosed
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