SCHEMBL7928574

SCHEMBL7928574

CC1=C(C)C(C)=C([Ti](OC(=O)c2ccccc2)(OC(=O)c2ccccc2)OC(=O)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.40
F2 P00734 1/20 0.40
TDP1 Q9NUW8 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.35
KMT2A Q03164 6/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
POLB P06746 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL7930342 0.77 TSHR (0.41) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL7925424 0.69 TSHR (0.42) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL7919131 0.68 TSHR (0.41) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL7930544 0.67 LMNA (0.61) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL7931125 0.67 TSHR (0.43) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL726457 0.64 LMNA (0.56) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL21369309 0.62 KMT2A (0.51) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL7927584 0.61 LMNA (0.52) TSHRLMNAF2TDP1ALDH1A1
Methyl Alcohol SCHEMBL19514313 0.61 TSHR (0.65) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL20558155 0.61 LMNA (0.64) 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