SCHEMBL7797542

SCHEMBL7797542

CCO[Ti](CCCNC(N)=O)(OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.36
ALOX15 P16050 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EPHX1 P07099 1/20 0.32
FAAH O00519 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL17163508 0.81 ACHE (0.34) ACHETSHRMEN1KMT2AEPHX1
SCHEMBL17891818 0.72 CYP1A2 (0.57)
SCHEMBL20724724 0.71 TSHR (0.56) TSHRKMT2A
SCHEMBL42513 0.71
Urethane SCHEMBL4555638 0.70 ALOX15 (0.56) ACHEALOX15TSHREPHX1FAAH
SCHEMBL1309431 0.70 TDP1 (0.42) CA12CA1CA2CA9TSHR
SCHEMBL1837224 0.70 KDM4E (0.48) CA12CA1CA2CA9TSHR
SCHEMBL11792895 0.69 EPHX2 (0.54) ALOX15TSHRKMT2A
SCHEMBL5840681 0.69 EPHX2 (0.54) ALOX15TSHRKMT2A
SCHEMBL28947 0.69

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
EP-1100093-A2 Flame-resistant resin composition and electric wire having a layer thereof Mitsubishi Cable Industries, Ltd. (JP) 2001-05-16 EP disclosed