SCHEMBL7700820

SCHEMBL7700820

O=C(O)C1CC2CC1C1CCC(C(=O)O)C21

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 4/20 0.41
SLC1A1 P43005 3/20 0.41
GABRR1 P24046 5/20 0.36
PKM P14618 1/20 0.33
GABRR2 P28476 1/20 0.31

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
SCHEMBL7699619 0.83 SLC1A2 (0.41) SLC1A2SLC1A1GABRR1PKMGABRR2
SCHEMBL30512431 0.81 GABRR1 (0.33) SLC1A2SLC1A1GABRR1GABRR2
SCHEMBL14537000 0.80 GRM2 (0.36) SLC1A2SLC1A1
SCHEMBL14527743 0.80 GRM2 (0.36) SLC1A2SLC1A1
SCHEMBL786009 0.78 SLC1A2 (0.41) SLC1A2SLC1A1GABRR1PKMGABRR2
SCHEMBL25391396 0.76
SCHEMBL17336867 0.76 SLC1A2 (0.47) SLC1A2SLC1A1GABRR1GABRR2
SCHEMBL6058684 0.76 SLC1A2 (0.47) SLC1A2SLC1A1GABRR1GABRR2
SCHEMBL14818195 0.75 SLC1A2 (0.39) SLC1A2SLC1A1GABRR1PKM
SCHEMBL10291030 0.74 L3MBTL1 (0.36) SLC1A2SLC1A1GABRR1PKM

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
US-6344534-B2 HEAT RESISTANCE; WATERPROOFING DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-05 US claimed
US-20010021766-A1 Functional polyester polymer and production process thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-09-13 US claimed
US-6344534-B2 HEAT RESISTANCE; WATERPROOFING DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-05 US disclosed
US-20010021766-A1 Functional polyester polymer and production process thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2001-09-13 US disclosed