SCHEMBL9048288

SCHEMBL9048288

Cc1cccc(C)c1/C=C(/CC(=O)N1C[C@H]2CCCC[C@H]2C1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 4/20 0.37
▸ CNR2 P34972 7/20 0.35
▸ SLC6A1 P30531 1/20 0.35
▸ FFAR1 O14842 2/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL9048290 1.00 CCR5 (0.37) CCR5CNR2SLC6A1FFAR1EPHX2
SCHEMBL9048295 1.00 CCR5 (0.37) CCR5CNR2SLC6A1FFAR1EPHX2
SCHEMBL9048300 1.00 CCR5 (0.37) CCR5CNR2SLC6A1FFAR1EPHX2
SCHEMBL9048285 1.00 CCR5 (0.37) CCR5CNR2SLC6A1FFAR1EPHX2
SCHEMBL4463349 0.87 FFAR1 (0.36) CCR5FFAR1EPHX2
SCHEMBL4463342 0.87 FFAR1 (0.36) CCR5FFAR1EPHX2
SCHEMBL4463354 0.87 FFAR1 (0.36) CCR5FFAR1EPHX2
SCHEMBL4463346 0.87 FFAR1 (0.36) CCR5FFAR1EPHX2
SCHEMBL4463357 0.87 FFAR1 (0.36) CCR5FFAR1EPHX2
SCHEMBL9049255 0.85 CCR5 (0.37) CCR5CNR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0507534-B1 Succinic acid compounds KISSEI PHARMACEUTICAL (JP) 1996-02-28 — — EP claimed
EP-0507534-B1 Succinic acid compounds KISSEI PHARMACEUTICAL (JP) 1996-02-28 — — EP disclosed
US-5202335-A Hypoglycemic, antidiabetic agents KISSEI PHARMACEUTICAL CO., LTD. (JP) 1993-04-13 — — US disclosed
EP-0507534-A1 Succinic acid compounds KISSEI PHARMACEUTICAL CO., LTD. (JP) 1992-10-07 — — EP disclosed
Send feedback