SCHEMBL7175773

SCHEMBL7175773

CCC[C@H](NC(=O)CN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 11/20 0.49
▸ SLC6A5 Q9Y345 1/20 0.46
▸ FPR2 P25090 1/20 0.44
▸ GNPAT O15228 1/20 0.42
▸ HDAC2 Q92769 2/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ AKR1A1 P14550 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MME P08473 1/20 0.40
▸ FOLH1 Q04609 1/20 0.39
▸ RIMKLA Q8IXN7 1/20 0.39
▸ NAALAD2 Q9Y3Q0 1/20 0.39

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
SCHEMBL7175771 1.00 NOD1 (0.49) NOD1SLC6A5FPR2GNPATHDAC2
SCHEMBL7176522 0.89 NOD1 (0.58) NOD1SLC6A5GNPATHDAC2FOLH1
SCHEMBL7176520 0.89 NOD1 (0.58) NOD1SLC6A5GNPATHDAC2FOLH1
SCHEMBL5698087 0.88 NOD1 (0.43) NOD1SLC6A5FPR2GNPATHDAC2
SCHEMBL4008880 0.88 NOD1 (0.43) NOD1SLC6A5FPR2GNPATHDAC2
SCHEMBL27811363 0.88 SLC6A5 (0.44) NOD1SLC6A5FPR2GNPATHDAC2
SCHEMBL27725300 0.88 SLC6A5 (0.44) NOD1SLC6A5FPR2GNPATHDAC2
SCHEMBL23792690 0.84 NOD1 (0.34) NOD1SLC6A5FPR2HDAC2CHRM1
SCHEMBL2487237 0.83 NOD1 (0.51) NOD1SLC6A5FPR2GNPATHDAC2
SCHEMBL2487239 0.83 NOD1 (0.51) NOD1SLC6A5FPR2GNPATHDAC2

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-0962459-B1 DIACETAL COMPOSITION, PROCESS FOR THE PREPARATION OF THE SAME, NUCLEATING AGENT FOR POLYOLEFINS CONTAINING THE SAME, POLYOLEFIN RESIN COMPOSITIONS, AND MOLDINGS NEW JAPAN CHEM CO LTD (JP) 2003-10-01 — — EP disclosed
US-20020028864-A1 Diacetal composition, process for preparing the same, polyolefin nucleating agent containing said composition, polyolefin resing compositions and molded articles KOBAYASHI TOSHIAKI (JP) 2002-03-07 — — US disclosed
US-6245843-B1 POWDER IN BINDER NEW JAPAN CHEMICAL CO., LTD. (JP) 2001-06-12 — — US disclosed
EP-0962459-A1 DIACETAL COMPOSITION, PROCESS FOR THE PREPARATION OF THE SAME, NUCLEATING AGENT FOR POLYOLEFINS CONTAINING THE SAME, POLYOLEFIN RESIN COMPOSITIONS, AND MOLDINGS NEW JAPAN CHEMICAL CO.,LTD. (JP) 1999-12-08 — — EP disclosed
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