SCHEMBL7006096

SCHEMBL7006096

O=C(O)c1[nH]c2ccccc2c1C(c1ccc(F)cc1)c1cccc(OCC2CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.52
KMT2A Q03164 7/20 0.52
POLB P06746 4/20 0.52
APOBEC3A P31941 1/20 0.50
CASP6 P55212 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
GAA P10253 1/20 0.47
FFAR1 O14842 7/20 0.43
PLCG1 P19174 1/20 0.41
DUT P33316 1/20 0.41
CYP2D6 P10635 1/20 0.40
MCL1 Q07820 3/20 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
SCHEMBL8476323 0.74 MEN1 (0.94) MEN1KMT2APOLBAPOBEC3ACASP6
SCHEMBL7004701 0.73 MEN1 (0.50) MEN1KMT2APOLBAPOBEC3ACASP6
SCHEMBL7005516 0.72 MEN1 (0.48) MEN1KMT2APOLBAPOBEC3ACASP6
SCHEMBL8472656 0.70 MEN1 (0.56) MEN1KMT2APOLBAPOBEC3ACASP6
SCHEMBL8472187 0.69 MEN1 (0.62) MEN1KMT2APOLBAPOBEC3ACASP6
SCHEMBL12696927 0.69 DUT (0.46) FFAR1DUT
SCHEMBL8471965 0.69 KDM4E (0.54) MEN1KMT2APOLB
SCHEMBL8472659 0.69 MEN1 (0.59) MEN1KMT2APOLBAPOBEC3ACASP6
SCHEMBL7006095 0.69 PPARD (0.41) FFAR1MCL1
SCHEMBL7170453 0.68 FFAR4 (0.42) FFAR1

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-1341761-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-$g(g) BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-10 EP disclosed
WO-2002030895-A1 SUBSTITUTED INDOLES, PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH INDOLES AND THEIR USE AS PPAR-η BINDING AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-18 WO disclosed