SCHEMBL27985208

SCHEMBL27985208

CC(CC(=O)O)CC(C)(C)C.CCC(C)CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38
GABRQ Q9UN88 2/20 0.38
CYP1A2 P05177 1/20 0.38
FOLH1 Q04609 2/20 0.37
BHMT Q93088 1/20 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
Propane SCHEMBL8041401 0.83 BHMT (0.35) MAPTCYP1A2BHMTFFAR3
SCHEMBL277812 0.83 GABRP (0.48) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL143938 0.83 SLC22A6 (0.38) CYP1A2BHMT
SCHEMBL4269719 0.81 BHMT (0.36) CYP1A2BHMT
Ammonia Solution, Strong SCHEMBL22134457 0.81 TDP1 (0.40) CYP1A2BHMT
Hydrochloric Acid SCHEMBL7940858 0.81 BHMT (0.36) CYP1A2BHMT
SCHEMBL21315733 0.81 BHMT (0.36) CYP1A2BHMT
SCHEMBL22396502 0.81 BHMT (0.36) CYP1A2BHMT
SCHEMBL11801707 0.81 BHMT (0.36) CYP1A2BHMT
SCHEMBL4658903 0.81 BHMT (0.36) CYP1A2BHMT

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
CN-104114683-A Refrigerator oil composition, method for producing same, and working fluid composition for refrigerator JX NIPPON OIL & ENERGY CORP 2014-10-22 CN disclosed