SCHEMBL7924736

SCHEMBL7924736

C[Ti](C)(OC(=O)c1ccccc1)C1C2=C(CCCC2)C2=C1CCCC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
LMNA P02545 3/20 0.37
F2 P00734 1/20 0.37
SLC6A3 Q01959 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
MCL1 Q07820 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR3E A5X5Y0 1/20 0.34

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
SCHEMBL7927345 0.89 TSHR (0.39) TSHRLMNAF2SLC6A3SLC6A2
SCHEMBL7927250 0.85 F2 (0.39) TSHRLMNAF2SLC6A3SLC6A2
SCHEMBL7927275 0.79 CHRNA7 (0.32) TSHRLMNASLC6A3SLC6A2SLC6A4
SCHEMBL7924732 0.77 KMT2A (0.33) TSHRLMNAF2SLC6A3SLC6A2
SCHEMBL7931008 0.75 MEN1 (0.38) SLC6A3SLC6A4KMT2AMEN1MAPT
SCHEMBL7927630 0.74 CHRNA7 (0.32) TSHRLMNASLC6A3SLC6A2SLC6A4
SCHEMBL7927680 0.72 CHRNA7 (0.32) TSHRLMNAF2SLC6A3SLC6A2
SCHEMBL7925832 0.72 TSHR (0.34) TSHRLMNAF2SLC6A3SLC6A2
SCHEMBL7928326 0.71 KDM4E (0.39) LMNAKMT2AMEN1MAPTCES2
SCHEMBL7924725 0.71 POLB (0.34) KMT2ASMN1; SMN2ALDH1A1TDP1CHRM2

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