SCHEMBL18209593

SCHEMBL18209593

O=C1C=CC(=O)N1C1CCCC1.O=C1C=CC(=O)N1C1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP2C9 P11712 3/20 0.48
CYP2C19 P33261 3/20 0.48
CYP3A4 P08684 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
HTT P42858 1/20 0.37
CREBBP Q92793 1/20 0.37
HSD17B10 Q99714 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37

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
SCHEMBL209046 1.00 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL15492440 0.97 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL25434872 0.97 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL20375020 0.97 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL25118469 0.97 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL24079397 0.97 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL1059882 0.97 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL28719 0.97 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL209153 0.97 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4
SCHEMBL212326 0.97 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2CYP2C9CYP2C19CYP3A4

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
WO-2016179452-A1 POLYMERS OF MALEIMIDE AND CYCLOOLEFINIC MONOMERS AS PERMANENT DIELECTRIC MATERIALS PROMERUS, LLC (US) 2016-11-10 WO claimed