SCHEMBL10065002

SCHEMBL10065002

CC(CC(=O)O)c1ccc(OCC2(COc3ncc(Cl)cc3Cl)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.50
MAPT P10636 1/20 0.41
LIPE Q05469 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CMKLR1 Q99788 7/20 0.39
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
APEX1 P27695 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL232116 0.89 FFAR1 (0.41) FFAR1LIPEL3MBTL1LMNACYP2C9
SCHEMBL232131 0.85 FFAR1 (0.58) FFAR1CYP2C9
SCHEMBL2966453 0.82 FFAR1 (0.50) FFAR1CMKLR1TSHR
SCHEMBL2970621 0.81 FFAR1 (0.53) FFAR1TSHR
SCHEMBL10064540 0.80 FFAR1 (0.47) FFAR1CMKLR1TSHR
SCHEMBL16520013 0.80 LMNA (0.36) FFAR1MAPTLIPEL3MBTL1LMNA
SCHEMBL2946459 0.80 FFAR1 (0.54) FFAR1L3MBTL1CMKLR1TSHR
SCHEMBL16500076 0.80 FFAR1 (0.40) FFAR1L3MBTL1
SCHEMBL3012667 0.78 FFAR1 (0.48) FFAR1L3MBTL1LMNATSHR
SCHEMBL3036390 0.78 FFAR1 (0.53) FFAR1CMKLR1

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