SCHEMBL9049255

SCHEMBL9049255

O=C(O)/C(=C\c1c(Cl)cccc1Cl)CC(=O)N1CC2CCCCC2C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 2/20 0.37
▸ ATM Q13315 1/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ HSD11B1 P28845 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CNR1 P21554 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ NOTUM Q6P988 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
SCHEMBL9049251 1.00 CCR5 (0.37) CCR5ATMCNR2HSD11B1ALDH1A1
SCHEMBL9049261 1.00 CCR5 (0.37) CCR5ATMCNR2HSD11B1ALDH1A1
SCHEMBL9049245 1.00 CCR5 (0.37) CCR5ATMCNR2HSD11B1ALDH1A1
SCHEMBL9049260 1.00 CCR5 (0.37) CCR5ATMCNR2HSD11B1ALDH1A1
SCHEMBL9047580 0.88 NPC1 (0.41) CCR5ATMALDH1A1POLB
SCHEMBL9047592 0.88 NPC1 (0.41) CCR5ATMALDH1A1POLB
SCHEMBL9047586 0.88 NPC1 (0.41) CCR5ATMALDH1A1POLB
SCHEMBL9047597 0.88 NPC1 (0.41) CCR5ATMALDH1A1POLB
SCHEMBL9047609 0.88 NPC1 (0.41) CCR5ATMALDH1A1POLB
SCHEMBL9048285 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
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