SCHEMBL27192192

SCHEMBL27192192

O=C(CCC(=O)OC(=O)c1ccccc1)OC(=O)c1ccccc1.[Ti].[Ti].[Ti].[Ti]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
F2 P00734 1/20 0.54
PRSS1 P07477 1/20 0.52
CTSG P08311 1/20 0.52
CTRB1 P17538 1/20 0.52
CMA1 P23946 1/20 0.52
TDP1 Q9NUW8 5/20 0.50
TSHR P16473 5/20 0.50
KMT2A Q03164 4/20 0.48
MAPK1 P28482 2/20 0.48
HIF1A Q16665 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
ALDH1A1 P00352 4/20 0.47
TP53 P04637 1/20 0.45
MAPT P10636 4/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
NR4A2 P43354 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL9318015 0.98 LMNA (0.56) LMNAF2PRSS1CTSGCTRB1
SCHEMBL15485653 0.96 LMNA (0.54) LMNAF2PRSS1CTSGCTRB1
Water SCHEMBL21440321 0.96 LMNA (0.54) LMNAF2PRSS1CTSGCTRB1
SCHEMBL3311087 0.92 NR4A2 (0.55) LMNAF2PRSS1CTSGCTRB1
SCHEMBL27634094 0.90 NR4A2 (0.53) LMNAF2PRSS1CTSGCTRB1
Water SCHEMBL28970354 0.90 NR4A2 (0.53) LMNAF2PRSS1CTSGCTRB1
SCHEMBL28158437 0.90 NR4A2 (0.53) LMNAF2PRSS1CTSGCTRB1
SCHEMBL7758809 0.89 TDP1 (0.53) LMNAF2PRSS1CTSGCTRB1
SCHEMBL29172840 0.89 TDP1 (0.53) LMNAF2PRSS1CTSGCTRB1
SCHEMBL1419304 0.88 TSHR (0.48) LMNAF2PRSS1CTSGCTRB1

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
US-20240117106-A1 POLYESTER COMPOSITIONS COMPRISING TETRAMETHYL CYCLOBUTANEDIOL AND 1,4-CYCLOHEXANEDIMETHANOL HAVING AN IMPROVED CATALYST SYSTEM COMPRISING TITANIUM AND ZINC EASTMAN CHEMICAL COMPANY (US) 2024-04-11 US claimed