SCHEMBL7928125

SCHEMBL7928125

CC1=C([Ti](OC(=O)c2cccc3ccccc23)(OC(=O)c2cccc3ccccc23)OC(=O)c2cccc3ccccc23)C2=C(CCCC2)C1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
CDC25B P30305 2/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TLR2 O60603 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
NR4A1 P22736 1/20 0.35
NR4A2 P43354 1/20 0.35
NR4A3 Q92570 1/20 0.35
PLK1 P53350 1/20 0.35
DRD4 P21917 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
SCHEMBL7924648 0.86 POLB (0.38) POLBKMT2AGAACDC25BALDH1A1
SCHEMBL7925147 0.81 TSHR (0.35) KMT2AGAALMNA
SCHEMBL7925418 0.79 GAA (0.36) POLBKMT2AGAACDC25BALDH1A1
SCHEMBL7927412 0.78 GAA (0.36) POLBKMT2AGAACDC25BALDH1A1
SCHEMBL7919336 0.78 GAA (0.36) POLBKMT2AGAACDC25BALDH1A1
SCHEMBL7919337 0.77 POLB (0.42) POLBKMT2AGAACDC25BALDH1A1
SCHEMBL7924823 0.77 POLB (0.42) POLBKMT2AGAACDC25BALDH1A1
SCHEMBL7925408 0.76 KMT2A (0.44) POLBKMT2AGAACDC25BALDH1A1
SCHEMBL7919535 0.74 KMT2A (0.36) POLBKMT2AGAACDC25BALDH1A1
SCHEMBL7927302 0.74 MEN1 (0.35) POLBKMT2AALDH1A1KDM4ENPC1

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