SCHEMBL4339639

SCHEMBL4339639

C=C1CCC2C3C=CC(C3)C12

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3422940 0.77 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL4951220 0.74 ALDH1A1 (0.42) ALDH1A1TDP1
SCHEMBL5993533 0.67 CYP11B2 (0.54) ALDH1A1
SCHEMBL14284261 0.67 ALDH1A1 (0.39) ALDH1A1TDP1
SCHEMBL19689443 0.64 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL6724992 0.64 ALDH1A1 (0.46) ALDH1A1TDP1
SCHEMBL5491384 0.64
SCHEMBL4700975 0.63 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL14284259 0.63 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL5349643 0.63 ALDH1A1 (0.31) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009096921-A1 POLYMER COMPOSITIONS COMPRISING CYCLIC OLEFIN POLYMERS, POLYOLEFIN MODIFIERS AND NON-FUNCTIONALIZIED PLASTICIZERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2009-08-06 WO disclosed