SCHEMBL7925516

SCHEMBL7925516

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
PIN1 Q13526 1/20 0.33
TAS1R3 Q7RTX0 3/20 0.33
TAS1R1 Q7RTX1 3/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CETP P11597 1/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
ADORA2A P29274 1/20 0.31

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
SCHEMBL7919471 0.93 POLB (0.35) POLBPIN1TAS1R3TAS1R1KMT2A
SCHEMBL7925574 0.87 POLB (0.42) POLBPIN1TAS1R3TAS1R1KMT2A
SCHEMBL7928446 0.83 POLB (0.35) POLB
SCHEMBL7925878 0.82 MEN1 (0.35) POLBPIN1TAS1R3TAS1R1KMT2A
SCHEMBL7919279 0.81 ALDH1A1 (0.34) POLBTAS1R3TAS1R1KMT2AHTT
SCHEMBL7927183 0.81 DRD1 (0.37) POLBTAS1R3TAS1R1KMT2ATDP1
SCHEMBL7928586 0.80 HTT (0.39) KMT2ATDP1MEN1HTTCETP
SCHEMBL7928647 0.80 POLB (0.42) POLBPIN1TAS1R3TAS1R1TDP1
SCHEMBL7919221 0.80 ALDH1A1 (0.42) HTTHTR1ADRD2ALDH1A1
SCHEMBL7930914 0.79 ACHE (0.31) POLBTAS1R3TAS1R1TAS1R2HTT

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