SCHEMBL8635233

SCHEMBL8635233

Cc1c(CCC(=O)N2CCNCC2)cc(C(C)(C)C)c(O)c1C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.67
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.37
GPR4 P46093 1/20 0.35
KCNH2 Q12809 1/20 0.35
TRPV4 Q9HBA0 1/20 0.35
HSPA5 P11021 1/20 0.34
CACNA1A O00555 1/20 0.34
CACNA2D1 P54289 1/20 0.34
CACNB1 Q02641 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 2/20 0.32

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
SCHEMBL8606474 0.88 GAA (0.54) GAAMEN1KMT2AMAPTHPGD
SCHEMBL8608245 0.85 GAA (0.60) GAAMEN1KMT2AMAPTTP53
SCHEMBL8608650 0.84 GAA (0.68) GAAMEN1KMT2AMAPTTP53
SCHEMBL8608136 0.84 GAA (0.68) GAAMEN1KMT2AMAPTTP53
SCHEMBL11580971 0.81 GAA (0.56) GAAMEN1KMT2AMAPTTP53
SCHEMBL8608828 0.80 GAA (0.65) GAAMEN1KMT2AMAPTHPGD
SCHEMBL8606000 0.80 GAA (0.61) GAAMEN1KMT2AMAPTTP53
SCHEMBL8605893 0.79 GAA (0.45) GAAMEN1KMT2AHPGDALDH1A1
SCHEMBL8606883 0.78 GAA (0.66) GAAMEN1KMT2AHPGDTRPV4
SCHEMBL8608313 0.74 GAA (0.54) GAAMEN1KMT2AMAPTHPGD

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-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed