SCHEMBL9799885

SCHEMBL9799885

O=C(O)CC(NC(=O)[C@H]1CC[C@H](Oc2ccc(C(=O)c3ccccc3)c(Cl)c2Cl)C1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PYGL P06737 3/20 0.35
▸ RECQL P46063 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CASP3 P42574 5/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKLR P30613 1/20 0.34
▸ PLG P00747 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ RORC P51449 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
SCHEMBL9765606 0.93 ITGB2 (0.36) PYGLLMNATDP1PLGPDE5A
SCHEMBL9765542 0.93 ITGB2 (0.36) PYGLLMNATDP1PLGPDE5A
SCHEMBL9765599 0.92 LMNA (0.36) LMNATDP1PLGPDE5ARORC
SCHEMBL9765596 0.92 LMNA (0.36) LMNATDP1PLGPDE5ARORC
SCHEMBL9765550 0.91 POLB (0.40) PYGLLMNATDP1GAAPKLR
SCHEMBL9765570 0.91 POLB (0.40) PYGLLMNATDP1GAAPKLR
SCHEMBL195323 0.91 POLB (0.40) PYGLLMNATDP1GAAPKLR
SCHEMBL9765574 0.91 POLB (0.40) PYGLLMNATDP1GAAPKLR
SCHEMBL9765547 0.91 POLB (0.40) PYGLLMNATDP1GAAPKLR
SCHEMBL9765587 0.91 POLB (0.40) PYGLLMNATDP1GAAPKLR

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 1 patent. 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
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