SCHEMBL9862318

SCHEMBL9862318

COC(C/C=C(\C)C(N)=O)OC

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.30
CYP2D6 P10635 2/20 0.30
CYP2C19 P33261 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 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
SCHEMBL9057385 1.00 MAPT (0.30) MAPTCYP2D6CYP2C19ALDH1A1CYP3A4
SCHEMBL7746263 0.81 MAPT (0.34) MAPTCYP2D6CYP2C19
SCHEMBL7746260 0.81 MAPT (0.34) MAPTCYP2D6CYP2C19
SCHEMBL3935911 0.80 CYP2D6 (0.38) MAPTCYP2D6CYP2C19ALDH1A1CYP3A4
SCHEMBL3272672 0.80 CYP2D6 (0.38) MAPTCYP2D6CYP2C19ALDH1A1CYP3A4
SCHEMBL630861 0.76 GRIK1 (0.41) ALDH1A1
SCHEMBL3232685 0.76 GRIK1 (0.41) ALDH1A1
SCHEMBL2047661 0.76 TDP1 (0.32)
SCHEMBL11762637 0.74 GABRP (0.33)
SCHEMBL445565 0.74 TDP1 (0.31) MAPTALDH1A1

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-4981913-A SHELF LIFE, PAPERMAKING BASF AKTIENGESELLSCHAFT (DE) 1991-01-01 US disclosed
EP-0364798-A2 Cross-linked, water soluble copolymers, process for their manufacture and use thereof BASF Aktiengesellschaft (DE) 1990-04-25 EP disclosed