SCHEMBL7927183

SCHEMBL7927183

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.37
HTR2A P28223 2/20 0.37
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR1A P08908 2/20 0.32
DRD2 P14416 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL7928527 0.93 HTR2A (0.37) DRD1HTR2AALDH1A1TAS1R3TAS1R1
SCHEMBL7919221 0.90 ALDH1A1 (0.42) DRD1HTR2AALDH1A1HTR1ADRD2
SCHEMBL7925574 0.86 POLB (0.42) DRD1HTR2AALDH1A1TAS1R3TAS1R1
SCHEMBL7928440 0.84 ALDH1A1 (0.40) DRD1HTR2AALDH1A1POLBHTR1A
SCHEMBL7925878 0.84 MEN1 (0.35) HTR2AALDH1A1TAS1R3TAS1R1POLB
SCHEMBL7924640 0.82 POLB (0.33) POLBMAPTCYP1A2TSHRCYP2C19
SCHEMBL7925516 0.81 POLB (0.35) ALDH1A1SMN1; SMN2TAS1R3TAS1R1POLB
SCHEMBL7928586 0.81 HTT (0.39) TDP1L3MBTL1MEN1KMT2ATSHR
SCHEMBL7919279 0.80 ALDH1A1 (0.34) ALDH1A1TAS1R3TAS1R1POLBHTR1A
SCHEMBL7930914 0.80 ACHE (0.31) TAS1R3TAS1R1POLBMAPTHTT

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