SCHEMBL16638746

SCHEMBL16638746

C=P(CCNCCNCCC[Si](OCC)(OCC)OCC)(OCC)OCC

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL1092293 0.81 CYP2C19 (0.36)
SCHEMBL16638748 0.79 PPARD (0.43) CA12CA1CA2CA9
SCHEMBL57190 0.79 CYP2C19 (0.38)
SCHEMBL12190446 0.78 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL11311739 0.78 CYP2C19 (0.31)
SCHEMBL142656 0.78 CA12 (0.44) CA12CA1CA2CA9
SCHEMBL2596914 0.78 S1PR2 (0.46) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL28741000 0.77 CYP2C19 (0.36)
SCHEMBL28063626 0.76 ALDH1A1 (0.30)
SCHEMBL18766 0.76 CA12 (0.44) CA12CA1CA2CA9

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
US-9006372-B2 Silicone resins and their use in polymer compositions DOW CORNING (SHANGHAI) CO LTD (CN) 2015-04-14 US disclosed