SCHEMBL9765596

SCHEMBL9765596

O=C(c1ccccc1)c1ccc(O[C@H]2CC[C@H](C(=O)NC(CO)C(=O)O)C2)c(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ITGB1 P05556 3/20 0.33
▸ ITGA4 P13612 3/20 0.33
▸ PLG P00747 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ RORC P51449 4/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ CCR3 P51677 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PPARG P37231 2/20 0.32
▸ SCN1A P35498 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL9765599 1.00 LMNA (0.36) LMNATDP1ITGB1ITGA4PLG
SCHEMBL9799885 0.92 PYGL (0.35) LMNATDP1PLGPDE5ARORC
SCHEMBL9765570 0.90 POLB (0.40) LMNATDP1PLGRORC
SCHEMBL195323 0.90 POLB (0.40) LMNATDP1PLGRORC
SCHEMBL9765547 0.90 POLB (0.40) LMNATDP1PLGRORC
SCHEMBL9765574 0.90 POLB (0.40) LMNATDP1PLGRORC
SCHEMBL9765542 0.90 ITGB2 (0.36) LMNATDP1PLGMRGPRX4PDE5A
SCHEMBL9765606 0.90 ITGB2 (0.36) LMNATDP1PLGMRGPRX4PDE5A
SCHEMBL9765550 0.90 POLB (0.40) LMNATDP1PLGRORC
SCHEMBL9765587 0.90 POLB (0.40) LMNATDP1PLGRORC

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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