SCHEMBL27522720

SCHEMBL27522720

Oc1cccc(O)c1-c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
TSHR P16473 3/20 0.52
MAOA P21397 3/20 0.48
HPGD P15428 6/20 0.46
MAPT P10636 5/20 0.46
HSD17B10 Q99714 5/20 0.46
ALOX15 P16050 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
MAOB P27338 1/20 0.46
HTT P42858 1/20 0.46
CYP2A6 P11509 1/20 0.46
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NFKB1 P19838 2/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL4621457 0.93 ALDH1A1 (0.54) ALDH1A1TSHRMAOAHPGDMAPT
SCHEMBL4621473 0.86 ALDH1A1 (0.46) ALDH1A1TSHRMAOAHPGDMAPT
SCHEMBL13201408 0.86 ALDH1A1 (0.46) ALDH1A1TSHRMAOAHPGDMAPT
SCHEMBL2937809 0.86 ALDH1A1 (0.46) ALDH1A1TSHRMAOAHPGDMAPT
SCHEMBL8814321 0.84 ALDH1A1 (0.54) ALDH1A1TSHRMAOAHPGDMAPT
SCHEMBL28836550 0.84 TSHR (0.62) ALDH1A1TSHRMAOAHPGDMAPT
SCHEMBL4226711 0.81 ALDH1A1 (0.56) ALDH1A1TSHRMAOAHPGDMAPT
SCHEMBL21331562 0.80 TSHR (0.46) ALDH1A1TSHRMAOAHPGDMAPT
SCHEMBL1022489 0.80 ALDH1A1 (0.62) ALDH1A1TSHRHPGDMAPTHSD17B10
SCHEMBL29807938 0.80 ALDH1A1 (0.62) ALDH1A1TSHRHPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1239453-C Polyether ketone kind rigid largering monomer, polymer and synthesis method UNIV JILIN (CN) 2006-02-01 CN claimed
CN-1556085-A Polyether ketone kind rigid largering monomer, polymer and synthesis method 吉林大学 2004-12-22 CN claimed
CN-1239453-C Polyether ketone kind rigid largering monomer, polymer and synthesis method UNIV JILIN (CN) 2006-02-01 CN disclosed
CN-1556085-A Polyether ketone kind rigid largering monomer, polymer and synthesis method 吉林大学 2004-12-22 CN disclosed
CN-1071110-C Antibacterial antiplaque, anticalculus oral composition COLGATE PALMOLIVE CO (US) 2001-09-19 CN disclosed
CN-1049606-A Antibacterium, antibiotic dental plaque, anti-calculus oral cavity composition COLGATE PALMOLIVE CO (US) 1991-03-06 CN disclosed