SCHEMBL16094029

SCHEMBL16094029

C=C(C)C1CCC(C)(C(=O)O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.52
LMNA P02545 3/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
USP7 Q93009 1/20 0.34
CYP2C19 P33261 3/20 0.34
GRM2 Q14416 2/20 0.34
GRM3 Q14832 2/20 0.34
GRM4 Q14833 2/20 0.34
MTOR P42345 2/20 0.34
ALOX15 P16050 2/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
PLCB1 Q9NQ66 1/20 0.34
MAPK1 P28482 2/20 0.33

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
SCHEMBL3470932 0.83 FFAR3 (0.56) FFAR3LMNATSHRSMN1; SMN2POLB
SCHEMBL16892280 0.83 FFAR3 (0.56) FFAR3LMNATSHRSMN1; SMN2POLB
SCHEMBL431288 0.80 FFAR3 (0.59) FFAR3LMNATSHRSMN1; SMN2CYP2C19
SCHEMBL11799188 0.80 FFAR3 (0.59) FFAR3LMNATSHRSMN1; SMN2CYP2C19
Acetic Acid SCHEMBL28759584 0.79 SMN1; SMN2 (0.38) FFAR3LMNATSHRSMN1; SMN2POLB
SCHEMBL23458958 0.78 FFAR3 (0.62) FFAR3LMNATSHRSMN1; SMN2POLB
SCHEMBL21834034 0.77 FFAR3 (0.54) FFAR3LMNATSHRSMN1; SMN2POLB
SCHEMBL21834030 0.77 FFAR3 (0.54) FFAR3LMNATSHRSMN1; SMN2POLB
SCHEMBL19919700 0.77 FFAR3 (0.54) FFAR3LMNATSHRSMN1; SMN2CYP2C19
SCHEMBL20293339 0.76 FFAR3 (0.59) FFAR3LMNASMN1; SMN2CYP2C19MTOR

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
EP-2970753-A1 METHODS AND COMPOSITIONS FOR USE IN OIL AND/OR GAS WELLS Cesi Chemical Inc. (US) 2016-01-20 EP disclosed
WO-2014153102-A1 METHODS AND COMPOSITIONS FOR USE IN OIL AND/OR GAS WELLS CESI CHEMICAL INC. (US) 2014-09-25 WO disclosed