SCHEMBL6549841

SCHEMBL6549841

CC1=C([Ti])c2cccc3ccc(C)c1c23

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
HSD17B10 Q99714 6/20 0.42
TSHR P16473 5/20 0.42
HPGD P15428 4/20 0.42
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1B1 Q16678 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP1A1 P04798 1/20 0.36
MAPK1 P28482 2/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
RECQL P46063 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CES2 O00748 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
SCHEMBL28513225 0.82 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL1059869 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL2701449 0.72 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL21450709 0.68 PARP1 (0.63) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL1984717 0.66 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL8650891 0.66 ALDH1A1 (0.54) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL4590391 0.65 ALDH1A1 (0.60) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL6418458 0.64 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL16800740 0.64 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL7645364 0.64 ALDH1A1 (0.44) ALDH1A1HSD17B10TSHRHPGDCYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383810-A2 GAS PHASE PROCESS FOR POLYMERS WITH GROUP 4 METAL COMPLEX CATALYST ADDITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-01-28 EP disclosed
WO-2002077045-A2 GAS PHASE PROCESS FOR POLYMERS WITH GROUP 4 METAL COMPLEX CATALYST ADDITION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2002-10-03 WO disclosed