SCHEMBL9765588

SCHEMBL9765588

O=C(O)CCC(NC(=O)[C@H]1CC[C@H](Oc2ccc(C(=O)c3ccccc3F)c(Cl)c2Cl)C1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ FOLH1 Q04609 6/20 0.35
▸ GAA P10253 1/20 0.35
▸ CASP3 P42574 2/20 0.34
▸ PKLR P30613 1/20 0.34
▸ CTSB P07858 1/20 0.34
▸ NAALAD2 Q9Y3Q0 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ ITGA4 P13612 1/20 0.32

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
SCHEMBL9765594 1.00 POLB (0.38) POLBFOLH1GAACASP3PKLR
SCHEMBL9765547 0.90 POLB (0.40) POLBFOLH1GAAPKLRNAALAD2
SCHEMBL195323 0.90 POLB (0.40) POLBFOLH1GAAPKLRNAALAD2
SCHEMBL9765570 0.90 POLB (0.40) POLBFOLH1GAAPKLRNAALAD2
SCHEMBL9765587 0.90 POLB (0.40) POLBFOLH1GAAPKLRNAALAD2
SCHEMBL9765550 0.90 POLB (0.40) POLBFOLH1GAAPKLRNAALAD2
SCHEMBL9765574 0.90 POLB (0.40) POLBFOLH1GAAPKLRNAALAD2
SCHEMBL9765545 0.89 CNR2 (0.40) POLBFOLH1GAACASP3
SCHEMBL9799893 0.89 CNR2 (0.40) POLBFOLH1GAACASP3
SCHEMBL9765538 0.85 POLB (0.43) POLBFOLH1GAAPKLRNAALAD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0231619-B1 3-PHENOXY(OR PHENYLTHIO)CYCLOPENTANECARBONYLAMINO ACID ANALOGUES ONO PHARMACEUTICAL CO., LTD. (JP) 1991-03-06 — — EP claimed
EP-0231619-A2 3-Phenoxy(or phenylthio)cyclopentanecarbonylamino acid analogues ONO PHARMACEUTICAL CO., LTD. (JP) 1987-08-12 — — EP claimed
US-5023268-A Therapy for cerebral edema ONO PHARMACEUTICAL CO., LTD. (JP) 1991-06-11 — — US disclosed
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