SCHEMBL9744706

SCHEMBL9744706

CCCCCCCCC(C=O)Cc1ccc(C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
EPHX1 P07099 1/20 0.40
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
CNR2 P34972 1/20 0.38
TYR P14679 1/20 0.37
ADH1B P00325 1/20 0.37
ADH1C P00326 1/20 0.37
ADH1A P07327 1/20 0.37
ADH4 P08319 1/20 0.37
ADH7 P40394 1/20 0.37
CSNK1E P49674 1/20 0.36
NR1I2 O75469 1/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35

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
SCHEMBL765451 0.87 TYR (0.41) SMN1; SMN2TSHREPHX1TYRL3MBTL1
SCHEMBL29038365 0.83 SMN1; SMN2 (0.44) SMN1; SMN2TSHRCSNK1ECTSKCTSL
SCHEMBL14149558 0.83 CSNK1E (0.53) SMN1; SMN2TSHRCNR2CSNK1ECTSK
SCHEMBL10629707 0.83 CSNK1E (0.53) SMN1; SMN2TSHRCNR2CSNK1ECTSK
SCHEMBL18315865 0.83 CSNK1E (0.53) SMN1; SMN2TSHRCNR2CSNK1ECTSK
SCHEMBL25457813 0.83 CSNK1E (0.53) SMN1; SMN2TSHRCNR2CSNK1ECTSK
SCHEMBL1827653 0.81 CSNK1E (0.50) SMN1; SMN2TSHRCNR2CSNK1ECTSK
SCHEMBL11461770 0.81 TSHR (0.54) SMN1; SMN2TSHRCSNK1ETP53
SCHEMBL10629735 0.80 TYR (0.44) SMN1; SMN2TSHREPHX1TYRHPGD
SCHEMBL8970949 0.76 TYR (0.42) TSHREPHX1TYRIDO1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114269888-B Fragrance enhancing composition 阿尔门德拉私人有限公司 2024-08-27 CN disclosed
CN-108367088-A Composition and the conveyer system for spraying two or more compositions and filler 约翰逊父子公司 2018-08-03 CN disclosed
US-5089162-A Liquid or grains, lemon scent, yellow color; automatic dishwasher detergent LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-02-18 US disclosed