SCHEMBL13675192

SCHEMBL13675192

C=CN(CCC)C(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.32
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TP53 P04637 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL8397110 0.88 TSHR (0.37) FAAHTSHRHPGDCA12CA2
SCHEMBL7241117 0.83
SCHEMBL27972947 0.82 TSHR (0.32) TSHRHPGDCA12CA2CA9
SCHEMBL28769986 0.82 ALDH1A1 (0.36) TSHRHPGDCA12CA2CA9
SCHEMBL6408881 0.81 CA2 (0.32) TSHRCA12CA2CA9
SCHEMBL28659993 0.76
SCHEMBL11702565 0.76
SCHEMBL2445448 0.76
SCHEMBL1358419 0.74 ALDH1A1 (0.37) TSHRHPGDCA12CA2CA9
SCHEMBL28511533 0.74 ZDHHC20 (0.40) TSHRHPGDCA12CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605111-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2009-10-20 US disclosed
US-7459414-B2 Herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-12-02 US disclosed