SCHEMBL9554352

SCHEMBL9554352

O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1.O=C=NC1CCCCC1.O=C=NC1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.71
EPHX1 P07099 1/20 0.44
HIF1A Q16665 1/20 0.44
CYP3A4 P08684 1/20 0.32
APLNR P35414 1/20 0.31
CYP1A2 P05177 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
SCHEMBL3451197 0.96 ALDH1A1 (0.64) ALDH1A1EPHX1HIF1ACYP3A4APLNR
SCHEMBL24783193 0.92 ALDH1A1 (0.58) ALDH1A1EPHX1HIF1ACYP3A4APLNR
SCHEMBL20358194 0.92 ALDH1A1 (0.58) ALDH1A1EPHX1HIF1ACYP3A4APLNR
SCHEMBL5903114 0.91 ALDH1A1 (0.54) ALDH1A1CYP3A4APLNR
SCHEMBL7192102 0.91 ALDH1A1 (0.54) ALDH1A1CYP3A4APLNR
SCHEMBL10507329 0.91 ALDH1A1 (0.54) ALDH1A1CYP3A4APLNR
SCHEMBL23743495 0.91 ALDH1A1 (0.54) ALDH1A1CYP3A4APLNR
SCHEMBL8733246 0.91 ALDH1A1 (0.54) ALDH1A1CYP3A4APLNR
SCHEMBL6318341 0.91 ALDH1A1 (0.54) ALDH1A1CYP3A4APLNR
SCHEMBL22543 0.91 ALDH1A1 (0.54) ALDH1A1CYP3A4APLNR

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
EP-0555393-A1 THERMOPLASTIC POLYURETHANE ELASTOMERS AND POLYUREA ELASTOMERS MADE USING LOW UNSATURATION LEVEL POLYOLS PREPARED WITH DOUBLE METAL CYANIDE CATALYSTS OLIN CORPORATION (US) 1993-08-18 EP disclosed
WO-1992007892-A1 THERMOPLASTIC POLYURETHANE ELASTOMERS AND POLYUREA ELASTOMERS MADE USING LOW UNSATURATION LEVEL POLYOLS PREPARED WITH DOUBLE METAL CYANIDE CATALYSTS OLIN CORPORATION (US) 1992-05-14 WO disclosed