SCHEMBL10064604

SCHEMBL10064604

CC(CC(=O)O)c1ccc(OCC2(COc3ccccc3)CCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.51
FFAR4 Q5NUL3 1/20 0.48
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
CMKLR1 Q99788 4/20 0.42
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL2946459 0.95 FFAR1 (0.54) FFAR1FFAR4ALDH1A1TSHRCMKLR1
SCHEMBL3028055 0.90 FFAR1 (0.47) FFAR1FFAR4ALDH1A1TSHRCMKLR1
SCHEMBL2975161 0.87 FFAR1 (0.42) FFAR1FFAR4ALDH1A1TSHRLTB4R
SCHEMBL10064534 0.87 FFAR1 (0.43) FFAR1FFAR4ALDH1A1TSHRCMKLR1
SCHEMBL3013876 0.87 FFAR1 (0.50) FFAR1FFAR4ALDH1A1TSHR
SCHEMBL3012667 0.85 FFAR1 (0.48) FFAR1FFAR4ALDH1A1TSHRPOLB
SCHEMBL2965353 0.84 FFAR1 (0.49) FFAR1FFAR4ALDH1A1TSHRTDP1
SCHEMBL3036279 0.84 FFAR1 (0.49) FFAR1FFAR4ALDH1A1TSHRCMKLR1
SCHEMBL10064434 0.83 FFAR1 (0.45) FFAR1FFAR4ALDH1A1TSHRCMKLR1
SCHEMBL2975821 0.83 FFAR1 (0.46) FFAR1FFAR4ALDH1A1TSHRCMKLR1

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
WO-2012004270-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-12 WO disclosed