SCHEMBL8608641

SCHEMBL8608641

Cc1cc(CC(=O)N2CCNCC2)cc(C(C)(C)C)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.54
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
CACNA1H O95180 1/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
CACNA1A O00555 1/20 0.37
CACNA2D1 P54289 1/20 0.37

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
SCHEMBL8604372 0.92 GAA (0.55) GAAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL8606000 0.90 GAA (0.61) GAAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL8608693 0.84 GAA (0.46) GAAKMT2AMAPTPKMHTT
SCHEMBL8608828 0.83 GAA (0.65) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8607305 0.82 GAA (0.54) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL8609160 0.80 GAA (0.49) GAAKMT2AMAPTPKMHTT
SCHEMBL8606439 0.80 GAA (0.58) GAAMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL7097900 0.80 ALDH1A1 (0.60) GAACYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL8608313 0.79 GAA (0.54) GAAMEN1KMT2ACYP2C9CYP2C19
SCHEMBL8606474 0.79 GAA (0.54) GAAMEN1KMT2ACYP2C9CYP2C19

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