Rel-Menthone

Rel-Menthone

SCHEMBL5961370

CC(C)=CCC[C@H](C)[C@@H]1C=CC(C)=CC1.CC(C)[C@H]1CC[C@H](C)CC1=O

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.35
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
BID P55957 6/20 0.33
BCL2L1 Q07817 6/20 0.33
MCL1 Q07820 6/20 0.33
BAK1 Q16611 6/20 0.33
BCL2 P10415 1/20 0.33
CCR5 P51681 1/20 0.33
RORC P51449 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
METAP2 P50579 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
SCHEMBL23924349 0.83 PTPN1 (0.40) PTPN1MGAMGAASIMGAM2
SCHEMBL27974253 0.83 PTPN1 (0.40) PTPN1MGAMGAASIMGAM2
SCHEMBL154620 0.83 PTPN1 (0.40) PTPN1MGAMGAASIMGAM2
SCHEMBL29565713 0.83 PTPN1 (0.40) PTPN1MGAMGAASIMGAM2
SCHEMBL29350001 0.83 PTPN1 (0.40) PTPN1MGAMGAASIMGAM2
Alcohol SCHEMBL3663095 0.80 PTPN1 (0.38) PTPN1MGAMGAASIMGAM2
Citronellal SCHEMBL5961371 0.74 ALOX15 (0.35) PTPN1MGAMGAASIMGAM2
Rel-Menthone SCHEMBL15647453 0.72 ALOX15 (0.41) PTPN1MEN1KMT2A
Methyl Salicylate SCHEMBL1579926 0.69 LMNA (0.42) PTPN1BIDBCL2L1MCL1BAK1
Sabinene SCHEMBL9360164 0.68 NR1I2 (0.32) PTPN1BIDBCL2L1MCL1BAK1

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-1624881-A1 COMPOSITIONS AND METHODS FOR CONTROLLING INSECTS VANDERBILT UNIVERSITY (US) 2006-02-15 EP disclosed
WO-2004100971-A1 COMPOSITIONS AND METHODS FOR CONTROLLING INSECTS VANDERBILT UNIVERSITY (US) 2004-11-25 WO disclosed