SCHEMBL7927581

SCHEMBL7927581

C[O-].O=C(O[Ti+](OC(=O)c1ccccc1)OC(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
LMNA P02545 2/20 0.54
F2 P00734 1/20 0.54
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 1/20 0.47
TP53 P04637 1/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
POLB P06746 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 2/20 0.42

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
SCHEMBL7927594 0.74 TSHR (0.56) TSHRLMNAF2TDP1ALDH1A1
Methyl Benzoate SCHEMBL29831725 0.72 TSHR (1.00) TSHRLMNAF2TDP1ALDH1A1
Methyl Benzoate SCHEMBL28945661 0.72 TSHR (1.00) TSHRLMNAF2TDP1ALDH1A1
Methyl Benzoate SCHEMBL29105567 0.72 TSHR (1.00) TSHRLMNAF2TDP1ALDH1A1
Methyl Alcohol SCHEMBL19514313 0.72 TSHR (0.65) TSHRLMNAF2TDP1ALDH1A1
Methyl Benzoate SCHEMBL1867855 0.72 TSHR (1.00) TSHRLMNAF2TDP1ALDH1A1
Methyl Benzoate SCHEMBL29039896 0.72 TSHR (1.00) TSHRLMNAF2TDP1ALDH1A1
Methyl Benzoate SCHEMBL1332323 0.72 TSHR (1.00) TSHRLMNAF2TDP1ALDH1A1
Methyl Benzoate SCHEMBL7200 0.72 TSHR (1.00) TSHRLMNAF2TDP1ALDH1A1
Methyl Benzoate SCHEMBL28537345 0.72 TSHR (1.00) TSHRLMNAF2TDP1ALDH1A1

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
EP-0867454-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN CO (JP) 2001-03-21 EP disclosed
US-6075102-A Polymerization catalyst and process for producing polymers IDEMITSU KOSAN CO., LTD. (JP) 2000-06-13 US disclosed
EP-0867454-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING POLYMERS IDEMITSU KOSAN COMPANY LIMITED (JP) 1998-09-30 EP disclosed