SCHEMBL28040661

SCHEMBL28040661

CCC(O)C=C(C)C(=O)OCCO

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
TSHR P16473 3/20 0.34
MGLL Q99685 1/20 0.33
THRB P10828 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAPDH P04406 1/20 0.31

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
SCHEMBL28049970 0.86 TSHR (0.34) TSHRMGLLCYP2D6CYP2C19
SCHEMBL7035394 0.81 TSHR (0.36) ACHETSHR
SCHEMBL11063649 0.81 FAAH (0.42) TSHRMGLLGAPDH
SCHEMBL28790908 0.79 TSHR (0.38) ACHETSHR
SCHEMBL28072506 0.78 TSHR (0.51) TSHRTHRB
SCHEMBL27556309 0.77 ALDH1A1 (0.34) TSHRCYP2D6CYP2C19GAPDH
SCHEMBL10447805 0.77 GAPDH (0.34) GAPDH
SCHEMBL11063654 0.76 ACHE (0.36) ACHETSHRMGLL
SCHEMBL28373477 0.76 HCAR2 (0.46) TSHR
SCHEMBL11681445 0.76 GAPDH (0.33) GAPDH

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
CN-105228701-A Comprise the device that the liquid lip composition of inverted emulsion form and porous use component OREAL 2016-01-06 CN disclosed
CN-105102069-A Lipstick compositions in emulsion form comprising specific film-forming polymers and treatment methods using same OREAL 2015-11-25 CN disclosed