SCHEMBL7925574

SCHEMBL7925574

CC(=O)O[Ti]1(OC(C)=O)C2c3ccccc3-c3cccc(c32)CCc2cccc3c2C1c1ccccc1-3

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
DRD2 P14416 7/20 0.35
HTR1A P08908 3/20 0.34
CETP P11597 1/20 0.34
DRD1 P21728 2/20 0.34
HTR2A P28223 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B3 P37058 1/20 0.33
PTAFR P25105 1/20 0.33
PIN1 Q13526 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 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
SCHEMBL7928647 0.92 POLB (0.42) POLBHTR2AALDH1A1PIN1NPC1
SCHEMBL7925516 0.87 POLB (0.35) POLBDRD2HTR1ACETPMEN1
SCHEMBL7925878 0.87 MEN1 (0.35) POLBDRD2HTR1ACETPHTR2A
SCHEMBL7927183 0.86 DRD1 (0.37) POLBDRD2HTR1ACETPDRD1
SCHEMBL7928586 0.84 HTT (0.39) CETPMEN1KMT2ATDP1
SCHEMBL7919221 0.84 ALDH1A1 (0.42) DRD2HTR1ADRD1HTR2AALDH1A1
SCHEMBL7919279 0.83 ALDH1A1 (0.34) POLBHTR1AALDH1A1KMT2ATAS1R3
SCHEMBL7930914 0.83 ACHE (0.31) POLBMAPTTAS1R3TAS1R1
SCHEMBL7925573 0.81 KCNN4 (0.36) MEN1KMT2A
SCHEMBL7927598 0.81 POLB (0.42) POLBKMT2A

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