SCHEMBL7925443

SCHEMBL7925443

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
LMNA P02545 2/20 0.39
F2 P00734 1/20 0.39
KMT2A Q03164 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TP53 P04637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
MDM2 Q00987 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL7925564 0.77
SCHEMBL7930342 0.76 TSHR (0.41) TSHRLMNAF2KMT2ATDP1
SCHEMBL7928574 0.74 TSHR (0.42) TSHRLMNAF2KMT2ATDP1
SCHEMBL7931125 0.72 TSHR (0.43) TSHRLMNAF2KMT2ATDP1
SCHEMBL1309581 0.67
SCHEMBL7930544 0.66 LMNA (0.61) TSHRLMNAF2KMT2ATDP1
SCHEMBL7925424 0.65 TSHR (0.42) TSHRLMNAF2KMT2ATDP1
SCHEMBL7919131 0.64 TSHR (0.41) TSHRLMNAF2KMT2ATDP1
SCHEMBL3192522 0.64 L3MBTL1 (0.46) LMNAKMT2ATDP1MAPTALDH1A1
SCHEMBL726457 0.63 LMNA (0.56) TSHRLMNAF2KMT2ATDP1

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