SCHEMBL9749322

SCHEMBL9749322

COC1CC(C)(C)Oc2cc(O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.41
PDE4D Q08499 1/20 0.40
MAPT P10636 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
HTR2B P41595 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ALOX12 P18054 1/20 0.39
CYP19A1 P11511 3/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR3 O15455 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
OPRM1 P35372 2/20 0.35

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
SCHEMBL11037376 0.80 KDM4E (0.46) KDM4EALDH1A1LMNAMAPTTMEM97
SCHEMBL9748880 0.80 KDM4E (0.46) KDM4EALDH1A1LMNAMAPTTMEM97
SCHEMBL10585397 0.78 KDM4E (0.45) KDM4EALDH1A1LMNAMAPTTMEM97
SCHEMBL27463900 0.78 ALDH1A1 (0.46) KDM4EALDH1A1LMNAMAPTTMEM97
SCHEMBL18361623 0.78 CNR1 (0.38) LMNASMN1; SMN2CNR1CNR2L3MBTL1
Hydrochloric Acid SCHEMBL17708952 0.77 KDM4E (0.44) KDM4EALDH1A1LMNAMAPTTMEM97
SCHEMBL9516408 0.76 KDM4E (0.43) KDM4EALDH1A1LMNAMAPTTMEM97
SCHEMBL11357106 0.74 KDM4E (0.50) KDM4EALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9748794 0.72 TMEM97 (0.43) KDM4EALDH1A1MAPTTMEM97HTR2B
SCHEMBL7608955 0.70 MAPT (0.46) KDM4EALDH1A1LMNAMAPTTMEM97

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-0230475-B1 NOVEL UREA DERIVATIVES, PROCESSES FOR PRODUCTION THEREOF AND HERBICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 EP disclosed
US-4838924-A NONPHYTOTOXIC MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-06-13 US disclosed