SCHEMBL9232177

SCHEMBL9232177

COc1ccc(CC(OC(Cc2ccc(OC)cc2)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
LTA4H P09960 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
LDHA P00338 1/20 0.51
SLC6A4 P31645 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL217345 0.83 MEN1 (0.62) MEN1KMT2ALTA4HCYP1A2CYP2D6
SCHEMBL971331 0.82 SLC6A2 (0.47) CYP1A2CYP2D6CYP2C19SLC6A4SIGMAR1
SCHEMBL631023 0.81 ALDH1A1 (0.66) MEN1KMT2ALTA4HCYP1A2CYP2D6
SCHEMBL9281134 0.81 SMN1; SMN2 (0.46) MEN1KMT2ACYP2D6PPARGPPARA
SCHEMBL4603241 0.80 MEN1 (0.59) MEN1KMT2ALTA4HCYP1A2CYP2D6
SCHEMBL4603238 0.80 MEN1 (0.59) MEN1KMT2ALTA4HCYP1A2CYP2D6
SCHEMBL11579350 0.80 LDHA (0.58) MEN1KMT2ALTA4HCYP1A2CYP2D6
SCHEMBL8716192 0.79 MAOB (0.50) MEN1KMT2ALTA4HALDH1A1TDP1
SCHEMBL1127532 0.79 MEN1 (0.54) MEN1KMT2ALTA4HCYP1A2CYP2D6
SCHEMBL8529164 0.79 MEN1 (0.54) MEN1KMT2ALTA4HCYP1A2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58072499-A None JP disclosed
EP-0664316-A1 Polycarbonate composition having improved resistance to gamma-ray radiation TEIJIN LIMITED (JP) 1995-07-26 EP disclosed
JP-S5872499-A HEAT-SENSITIVE RECORDING MATERIAL FUJI PHOTO FILM CO LTD 1983-04-30 JP disclosed