SCHEMBL8530633

SCHEMBL8530633

CC(O)c1ccc(C2CCCc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
MAPK14 Q16539 1/20 0.53
HAO1 Q9UJM8 1/20 0.51
GID4 Q8IVV7 1/20 0.50
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
ADRA2A P08913 2/20 0.43
ADRA1A P35348 2/20 0.43
CYP2D6 P10635 2/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR1A P08908 1/20 0.43
OPRM1 P35372 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
SIGMAR1 Q99720 1/20 0.40
IDO1 P14902 2/20 0.40

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
SCHEMBL7458731 0.91 SIGMAR1 (0.46) MAPK1MAPK14HAO1GID4ADRA1A
SCHEMBL7059074 0.80 HAO1 (0.57) MAPK1MAPK14HAO1GID4IGF1R
SCHEMBL29842306 0.79 GID4 (0.62) MAPK1MAPK14HAO1GID4IGF1R
SCHEMBL395087 0.79 GID4 (0.62) MAPK1MAPK14HAO1GID4IGF1R
SCHEMBL8527467 0.77 HAO1 (0.64) MAPK1MAPK14HAO1GID4IGF1R
Phenyl Ethanol SCHEMBL9766485 0.77 TRPM8 (0.45) ALDH1A1MEN1KMT2AIDO1PLA2G1B
SCHEMBL20863578 0.76 HAO1 (0.53) MAPK1MAPK14HAO1GID4IGF1R
SCHEMBL20863599 0.76 HAO1 (0.53) MAPK1MAPK14HAO1GID4ADRA2A
SCHEMBL20863587 0.76 HAO1 (0.57) MAPK1MAPK14HAO1GID4IGF1R
SCHEMBL11751356 0.76 MAPK1 (0.56) MAPK1MAPK14HAO1GID4IGF1R

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-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed