SCHEMBL9799897

SCHEMBL9799897

NC(=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 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ PYGL P06737 1/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ MME P08473 1/20 0.33
▸ ECE1 P42892 1/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL9765538 0.93 POLB (0.43) POLBLMNATDP1PRSS1PRSS2
SCHEMBL9799890 0.93 POLB (0.43) POLBLMNATDP1PRSS1PRSS2
SCHEMBL9765586 0.88 KMT2A (0.39) POLBKMT2ALMNATDP1MRGPRX4
SCHEMBL9765595 0.88 KMT2A (0.39) POLBKMT2ALMNATDP1MRGPRX4
SCHEMBL9799899 0.84 PYGL (0.36) POLBKMT2AMRGPRX4PYGL
SCHEMBL9799894 0.83 CYP2C9 (0.44) POLBKMT2ALMNATDP1MRGPRX4
SCHEMBL9765550 0.81 POLB (0.40) POLBLMNATDP1PYGL
SCHEMBL195323 0.81 POLB (0.40) POLBLMNATDP1PYGL
SCHEMBL9765574 0.81 POLB (0.40) POLBLMNATDP1PYGL
SCHEMBL9765570 0.81 POLB (0.40) POLBLMNATDP1PYGL

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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