SCHEMBL7919221

SCHEMBL7919221

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

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
DRD1 P21728 5/20 0.39
HTR2A P28223 5/20 0.39
HTR1A P08908 4/20 0.39
DRD2 P14416 2/20 0.39
LMNA P02545 1/20 0.35
HTR7 P34969 1/20 0.35
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
HTT P42858 1/20 0.33
SLC18A3 Q16572 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
SCHEMBL7928440 0.94 ALDH1A1 (0.40) ALDH1A1DRD1HTR2AHTR1ADRD2
SCHEMBL7927183 0.90 DRD1 (0.37) ALDH1A1DRD1HTR2AHTR1ADRD2
SCHEMBL7928527 0.85 HTR2A (0.37) ALDH1A1DRD1HTR2AMTNR1AMTNR1B
SCHEMBL7925574 0.84 POLB (0.42) ALDH1A1DRD1HTR2AHTR1ADRD2
SCHEMBL7925410 0.83 ALDH1A1 (0.33) ALDH1A1LMNA
SCHEMBL7925878 0.81 MEN1 (0.35) ALDH1A1HTR2AHTR1ADRD2LMNA
SCHEMBL7925516 0.80 POLB (0.35) ALDH1A1HTR1ADRD2HTT
SCHEMBL7928586 0.79 HTT (0.39) LMNAMTNR1AMTNR1BHTTSLC18A3
SCHEMBL7928647 0.79 POLB (0.42) ALDH1A1HTR2AMTNR1AMTNR1B
SCHEMBL7919279 0.78 ALDH1A1 (0.34) ALDH1A1HTR1ALMNAHTT

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