SCHEMBL9765595

SCHEMBL9765595

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ CA2 P00918 5/20 0.35
▸ CA1 P00915 4/20 0.35
▸ PLG P00747 1/20 0.35
▸ PYGL P06737 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ MMP2 P08253 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ CAPN1 P07384 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
SCHEMBL9765586 1.00 KMT2A (0.39) KMT2AMRGPRX4POLBCA2CA1
SCHEMBL9765587 0.93 POLB (0.40) POLBPLGPYGLLMNATDP1
SCHEMBL9765547 0.93 POLB (0.40) POLBPLGPYGLLMNATDP1
SCHEMBL195323 0.93 POLB (0.40) POLBPLGPYGLLMNATDP1
SCHEMBL9765574 0.93 POLB (0.40) POLBPLGPYGLLMNATDP1
SCHEMBL9765550 0.93 POLB (0.40) POLBPLGPYGLLMNATDP1
SCHEMBL9765570 0.93 POLB (0.40) POLBPLGPYGLLMNATDP1
SCHEMBL9765606 0.91 ITGB2 (0.36) MRGPRX4CA2CA1PLGPYGL
SCHEMBL9765542 0.91 ITGB2 (0.36) MRGPRX4CA2CA1PLGPYGL
SCHEMBL9799899 0.89 PYGL (0.36) KMT2AMRGPRX4POLBPYGL

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 5 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
US-5023268-A Therapy for cerebral edema ONO PHARMACEUTICAL CO., LTD. (JP) 1991-06-11 — — US 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
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