SCHEMBL6536168

SCHEMBL6536168

Cc1cccc2nc(-c3ccc(C=Cc4ccc(-c5ccccc5)cc4)cc3)oc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.55
CETP P11597 2/20 0.47
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
ELANE P08246 1/20 0.44
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ESR1 P03372 1/20 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
SCHEMBL2587399 0.88 DHODH (0.58) DHODHCETPRAB9ANPC1SMN1; SMN2
SCHEMBL10125851 0.84 DHODH (0.56) DHODHCETPRAB9ANPC1SMN1; SMN2
SCHEMBL3145559 0.84 NPC1 (0.59) CETPRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL3145556 0.84 NPC1 (0.59) CETPRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL29881906 0.84 NPC1 (0.59) CETPRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL10126027 0.81 DHODH (0.51) DHODHCETPRAB9ANPC1SMN1; SMN2
SCHEMBL14266188 0.81 NPC1 (0.58) DHODHCETPRAB9ANPC1SMN1; SMN2
SCHEMBL318001 0.78 DHODH (0.46) DHODHRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL14266184 0.78 CETP (0.52) DHODHCETPRAB9ANPC1SMN1; SMN2
SCHEMBL21794460 0.78 NPC1 (0.57) DHODHCETPRAB9ANPC1SMN1; SMN2

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-20040192568-A1 Compositions comprising complexes of cyclodextrin and at least one laundry treatment active THE PROCTER & GAMBLE COMPANY 2004-09-30 US disclosed