SCHEMBL20686302

SCHEMBL20686302

CC(C)NC(=O)NCC(C)(C)NC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2625567 0.78 EPHX1 (0.47) EPHX1ALDH1A1LMNAMEN1KMT2A
SCHEMBL8086772 0.78 ADRB2 (0.35) EPHX1ALDH1A1LMNATSHRCYP3A4
SCHEMBL12449180 0.76 EPHX1 (0.46) EPHX1ALDH1A1LMNAMEN1KMT2A
SCHEMBL24449236 0.74 EPHX1 (0.41) EPHX1ALDH1A1LMNAMEN1KMT2A
SCHEMBL23437494 0.73 EPHX1 (0.47) EPHX1ALDH1A1LMNAMEN1KMT2A
SCHEMBL20852088 0.73 EPHX1 (0.34) EPHX1ALDH1A1
SCHEMBL19068846 0.72 EPHX1 (0.46) EPHX1ALDH1A1LMNAMEN1KMT2A
SCHEMBL24700130 0.70 MMP8 (0.35)
SCHEMBL2625566 0.70 EPHX1 (0.48) EPHX1ALDH1A1LMNAMEN1KMT2A
SCHEMBL12503103 0.70 EPHX1 (0.47) EPHX1ALDH1A1LMNAMEN1KMT2A

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-20190031574-A1 WATER-ABSORBING AND WATER-RETAINING MULTI-NUTRIENT BIODEGRADABLE POLYMERIC SLOW/CONTROLLED RELEASE FERTILIZER HAVING A SEMI-INTERPENETRATING NETWORK STRUCTURE NORTH UNIVERSITY OF CHINA (CN) 2019-01-31 US disclosed