SCHEMBL9475083

SCHEMBL9475083

CCC(=O)N(OC)c1c(CC)cccc1CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.50
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NR1I2 O75469 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
THRB P10828 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NLRP3 Q96P20 1/20 0.36
OPRM1 P35372 1/20 0.36
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL27295376 0.86 TP53 (0.63) TP53TDP1ALDH1A1NR1I2CYP3A4
SCHEMBL8507480 0.81 TP53 (0.50) TP53TDP1ALDH1A1NR1I2CYP3A4
SCHEMBL6454000 0.77 TP53 (0.46) TP53TDP1ALDH1A1NR1I2CYP3A4
SCHEMBL16705054 0.76 TP53 (0.77) TP53TDP1ALDH1A1NR1I2CYP3A4
SCHEMBL8507478 0.76 TP53 (0.44) TP53TDP1ALDH1A1NR1I2CYP3A4
SCHEMBL7601778 0.73 TP53 (0.35) TP53ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL7601412 0.70 ALDH1A1 (0.44) TP53ALDH1A1CYP3A4MEN1KMT2A
SCHEMBL60489 0.69 GABRA1 (0.50) TP53TDP1ALDH1A1NR1I2CYP3A4
SCHEMBL27542653 0.69 NR1I2 (0.60) TP53TDP1ALDH1A1NR1I2CYP3A4
SCHEMBL11795501 0.68 TP53 (0.75) TP53TDP1ALDH1A1NR1I2CYP3A4

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-5217522-A HERBICIDAL SULPHONYLGUANIDINOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1993-06-08 US disclosed