SCHEMBL5801231

SCHEMBL5801231

NN1CCCCC1CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.38
OPRD1 P41143 1/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SLC6A12 P48065 3/20 0.34
SLC6A11 P48066 3/20 0.34
SLC6A13 Q9NSD5 3/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL5372941 0.84 L3MBTL1 (0.35) POLBL3MBTL1
SCHEMBL4090600 0.78 L3MBTL1 (0.39) POLBL3MBTL1
SCHEMBL1778076 0.76 POLB (0.42) FFAR1ITGB3ITGA2BPOLBL3MBTL1
SCHEMBL1257532 0.76 POLB (0.42) FFAR1ITGB3ITGA2BPOLBL3MBTL1
SCHEMBL21509270 0.76 CYP1A2 (0.48) FFAR1OPRD1
SCHEMBL13968227 0.76 FFAR1 (0.38) FFAR1OPRD1ITGB3ITGA2BPOLB
SCHEMBL12719555 0.76 FFAR1 (0.41) FFAR1OPRD1POLBL3MBTL1
SCHEMBL13333879 0.76 CYP1A2 (0.48) FFAR1OPRD1
Hydrochloric Acid SCHEMBL6498891 0.74 CYP1A2 (0.47) FFAR1OPRD1
SCHEMBL15904356 0.74 FFAR1 (0.37) FFAR1OPRD1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015135082-A1 BRADYKININ RECEPTOR B1 TARGETING PROBES BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2015-09-17 WO disclosed
WO-2006082200-A1 METHOD FOR DIRECTLY PREPARING AMINO-ALCOHOLS OR ALCOHOLS USING HALOGENOZINC HYDRIDES ISOCHEM (FR) 2006-08-10 WO disclosed