SCHEMBL9013527

SCHEMBL9013527

CCC(O)(OC(O)(CC)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
FFAR3 O14843 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
TET2 Q6N021 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
SCHEMBL11383349 0.81
SCHEMBL9624822 0.79 ALDH1A1 (0.35) ALDH1A1TSHRFFAR3MEN1CYP1A2
SCHEMBL9017716 0.77 GAA (0.38) ALDH1A1TSHRMEN1CYP1A2THRB
SCHEMBL28288696 0.72 KIF11 (0.31) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL11227698 0.71 SMPD1 (0.32)
SCHEMBL27693315 0.70 TSHR (0.37) ALDH1A1TSHRTHRB
SCHEMBL11504848 0.69 FFAR3 (0.35) ALDH1A1TSHRFFAR3MEN1CYP1A2
SCHEMBL1197211 0.67 ALDH1A1 (0.44) ALDH1A1TSHRFFAR3MEN1CYP1A2
SCHEMBL22440902 0.67 ALDH1A1 (0.44) ALDH1A1TSHRFFAR3MEN1CYP1A2
SCHEMBL189665 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8244339-A None JP disclosed
JP-H08244339-A PRESSURE-RESISTANT RECORDING DEVELOPER COMPOSITION AND PRESSURE-RESISTANT RECORDING SHEET MITSUI TOATSU CHEM INC 1996-09-24 JP disclosed
US-5278203-A Method of preparing and improved liquid gelling agent concentrate and suspendable gelling agent HALLIBURTON COMPANY (US) 1994-01-11 US disclosed
EP-0505201-A2 Gelling agent for liquid gel concentrate HALLIBURTON COMPANY (US) 1992-09-23 EP disclosed
US-4772646-A Concentrated hydrophilic polymer suspensions HALLIBURTON COMPANY (US) 1988-09-20 US disclosed