SCHEMBL18177765

SCHEMBL18177765

CC1C(C)C2CC1C1CCC(C(=O)O)C21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.36
SLC1A1 P43005 3/20 0.36
GABRR1 P24046 5/20 0.34
GRM2 Q14416 2/20 0.31
GRM3 Q14832 1/20 0.31
GABRR2 P28476 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL18177801 0.79
SCHEMBL18177773 0.76 POLB (0.36) GABRR1GRM2GRM3POLBTDP1
SCHEMBL12254751 0.73 GABRR1 (0.33) SLC1A2SLC1A1GABRR1GRM2GRM3
SCHEMBL17974529 0.72 SLC1A2 (0.38) SLC1A2SLC1A1GABRR1
SCHEMBL18177803 0.72 GRM2 (0.30) GRM2GRM3
SCHEMBL9684027 0.71 GABRR1 (0.48) SLC1A2SLC1A1GABRR1GRM2GRM3
SCHEMBL3248675 0.71 GABRR1 (0.48) SLC1A2SLC1A1GABRR1GRM2GRM3
SCHEMBL18177770 0.71
SCHEMBL13784510 0.71 POLB (0.43) SLC1A2GRM2GRM3POLBTDP1
SCHEMBL21708 0.71 GABRR1 (0.53) SLC1A2SLC1A1GABRR1GRM2GRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311970-A1 INSERTION POLYNORBORNENE-BASED THERMOSET RESINS CLAVERIE, Jérôme (CA) 2016-10-27 US disclosed