SCHEMBL8745127

SCHEMBL8745127

C=Cc1ccc(CSCCOCCSCCO)cc1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL6393296 0.91 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL1026465 0.89 ALDH1A1 (0.42) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8752786 0.84 ALDH1A1 (0.35) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17861693 0.84 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8752789 0.83 CHRNB2 (0.36) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8745221 0.83 LTA4H (0.36) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8417981 0.83 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8745157 0.81 ALDH1A1 (0.32) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7089052 0.79 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL8745180 0.78 POLB (0.33) ALDH1A1TDP1

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