SCHEMBL7906115

SCHEMBL7906115

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
ADRA1A P35348 2/20 0.31
USP2 O75604 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ADRB3 P13945 1/20 0.31
HPGD P15428 1/20 0.31
CNR1 P21554 1/20 0.31
ACHE P22303 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 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
SCHEMBL3288778 0.83 LMNA (0.38) TSHRMEN1KMT2ALMNATDP1
SCHEMBL1972396 0.78 MEN1 (0.39) TSHRMEN1KMT2ALMNATDP1
SCHEMBL12138799 0.77 MEN1 (0.38) TSHRMEN1KMT2ALMNATDP1
SCHEMBL13043601 0.75 TSHR (0.31) TSHRNPSR1PIK3CD
SCHEMBL13043590 0.75 TSHR (0.31) TSHRNPSR1PIK3CD
SCHEMBL28839204 0.73 MEN1 (0.36) TSHRMEN1KMT2ALMNATDP1
SCHEMBL448528 0.72 TSHR (0.46) TSHRMEN1KMT2ALMNATDP1
SCHEMBL10308621 0.71 ALDH1A1 (0.35) TDP1ADRA1AALDH1A1PIK3CDHMGCR
SCHEMBL13078567 0.71 ALDH1A1 (0.35) TDP1ADRA1AALDH1A1PIK3CDHMGCR
SCHEMBL12902749 0.71 ALDH1A1 (0.39) SMN1; SMN2NPSR1ALDH1A1

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
WO-2000044414-A9 LUBRICIOUS MEDICAL DEVICES UNION CARBIDE CHEM PLASTIC (US) 2001-11-08 WO disclosed
EP-1148898-A1 LUBRICIOUS MEDICAL DEVICES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2001-10-31 EP disclosed
WO-2000044414-A1 LUBRICIOUS MEDICAL DEVICES UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2000-08-03 WO disclosed