SCHEMBL9066334

SCHEMBL9066334

CC1(C)CCCC(C)(CN=C=O)C1.N=C=O.N=C=O.O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL661926 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL1712651 0.84 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL28566214 0.84 ALDH1A1 (0.75) ALDH1A1CYP3A4
SCHEMBL1081188 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4
SCHEMBL7763583 0.80 ALDH1A1 (0.81) ALDH1A1CYP3A4
SCHEMBL4556661 0.75 ALDH1A1 (0.48) ALDH1A1CYP3A4
SCHEMBL1179083 0.75 ALDH1A1 (0.48) ALDH1A1CYP3A4
Cyclohexane SCHEMBL21812169 0.74 ALDH1A1 (0.86) ALDH1A1CYP3A4
SCHEMBL1542359 0.73 ALDH1A1 (0.91) ALDH1A1CYP3A4
SCHEMBL5493501 0.73 ALDH1A1 (0.91) ALDH1A1CYP3A4

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-5529655-A Laminated panes and process for the production of same SAINT-GOBAIN VITRAGE INTERNATIONAL (FR) 1996-06-25 US disclosed