SCHEMBL8745221

SCHEMBL8745221

C=Cc1ccc(Oc2ccc(CSCCO)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
PKM P14618 1/20 0.32
MMP2 P08253 1/20 0.31
ACE P12821 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C19 P33261 1/20 0.30
ST14 Q9Y5Y6 1/20 0.30

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
SCHEMBL1026465 0.90 ALDH1A1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8745127 0.83 ALDH1A1 (0.33) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7089052 0.80 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19
SCHEMBL6389194 0.79 ALDH1A1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7772314 0.78 CA2 (0.42) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6392514 0.76 ALDH1A1 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL5066949 0.75 ALDH1A1 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4106407 0.75 TDP1 (0.47) ALDH1A1SMN1; SMN2CYP3A4LMNACYP2C19
SCHEMBL6393296 0.75 ALDH1A1 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
1,6-Hexanediol SCHEMBL1140729 0.74 ALDH1A1 (0.44) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0466220-B1 Carboxy containing monomers and polymers and latices prepared from same JOHNSON & JOHNSON CLIN DIAG (US) 1997-01-29 EP disclosed
US-5278267-A Water insoluble vinyl aromatic polymer EASTMAN KODAK COMPANY (US) 1994-01-11 US disclosed
US-5210289-A Homo or coploymers for medical diagnosis EASTMAN KODAK COMPANY (US) 1993-05-11 US disclosed
US-5149737-A Carboxy group extended from polymer surface allows easier attachment of biological substances EASTMAN KODAK COMPANY (US) 1992-09-22 US disclosed
EP-0466220-A2 Carboxy containing monomers and polymers and latices prepared from same Johnson & Johnson Clinical Diagnostics, Inc. (US) 1992-01-15 EP disclosed