SCHEMBL21029192

SCHEMBL21029192

O=C(OCC1CC/C=C\CCC1)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
GLA P06280 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRNB2 P17787 4/20 0.36
CHRNB4 P30926 4/20 0.36
CHRNA3 P32297 4/20 0.36
CHRNA4 P43681 4/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HTR4 Q13639 1/20 0.33
ADORA2B P29275 1/20 0.33
RCE1 Q9Y256 1/20 0.33
EGFR P00533 1/20 0.33
CHRM2 P08172 1/20 0.33

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
SCHEMBL21028806 0.78 DRD2 (0.41) KDM4EALDH1A1KMT2ACYP1A2CHRNB2
SCHEMBL27421053 0.72 CHRNB2 (0.50) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL27421054 0.70 CHRNB2 (0.44) KDM4EKMT2AHSD17B10CHRNB2CHRNB4
SCHEMBL13498624 0.70 CDC25B (0.52) KDM4EALDH1A1POLBKMT2AHPGD
SCHEMBL2114876 0.70 CDC25B (0.52) KDM4EALDH1A1POLBKMT2AHPGD
SCHEMBL29113046 0.69 ALDH1A1 (0.56) KDM4EALDH1A1POLBKMT2ACYP1A2
SCHEMBL11045754 0.69 LMNA (0.41) KDM4E
SCHEMBL3744191 0.69 LMNA (0.41) KDM4E
SCHEMBL3744195 0.68 LMNA (0.43) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL1472866 0.68 LMNA (0.43) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3

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-11028240-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2021-06-08 US disclosed
US-10301443-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2019-05-28 US disclosed