SCHEMBL3738552

SCHEMBL3738552

COC(CC(=O)O)(CC(=O)O)C(=O)O.OCCCCOCCCCOCCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
GAA P10253 1/20 0.38
ACHE P22303 6/20 0.33
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
CAMK2A Q9UQM7 1/20 0.30

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
SCHEMBL3736963 1.00 CYP4F2 (0.41) CYP4F2CYP4A11GAAACHEKMT2A
1,4-Butanediol SCHEMBL3743493 0.91 FFAR1 (0.38) CYP4F2CYP4A11TSHRALDH1A1CYP2D6
Di(Hydroxyethyl)Ether SCHEMBL3728469 0.87 TSHR (0.39) KMT2ATSHRALDH1A1MEN1THRB
Tetraethylene Glycol SCHEMBL3746474 0.86 MEN1 (0.41) KMT2ATSHRALDH1A1MEN1THRB
Triethylene Glycol SCHEMBL3731014 0.86 MEN1 (0.41) KMT2ATSHRALDH1A1MEN1THRB
Ethylene Glycol SCHEMBL3729146 0.83 CYP2D6 (0.41) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL347366 0.81 CYP2C19 (0.46) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL3733591 0.81 CYP4F2 (0.47) CYP4F2CYP4A11GAAACHEKMT2A
SCHEMBL3738253 0.81 CYP4F2 (0.47) CYP4F2CYP4A11GAAACHEKMT2A
SCHEMBL16413118 0.74 CYP4F2 (0.35) CYP4F2CYP4A11GAAACHEALDH1A1

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
US-7825178-B2 Leveling agent for floor polish and aqueous floor polish composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-11-02 US disclosed
US-20070289481-A1 Leveling Agent for Floor Polish and Aqueous Floor Polish Composition DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-12-20 US disclosed