SCHEMBL6203033

SCHEMBL6203033

O=C(CCc1ccc(F)cc1)c1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.55
SLC5A2 P31639 1/20 0.55
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
ACKR3 P25106 4/20 0.49
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
FFAR1 O14842 1/20 0.46
BCL2L1 Q07817 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAOB P27338 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL6203848 0.91 DRD2 (0.51) SLC5A1SLC5A2CES2CES1ACKR3
SCHEMBL6161424 0.91 CES2 (0.47) SLC5A1SLC5A2CES2CES1ACKR3
SCHEMBL31661842 0.79 CES2 (0.57) CES2CES1ACKR3POLBMEN1
SCHEMBL959448 0.79 CES2 (0.57) CES2CES1ACKR3RAB9ANPC1
SCHEMBL3527017 0.79 CES2 (0.57) CES2CES1ACKR3POLBMEN1
SCHEMBL6944180 0.79 CES2 (0.57) CES2CES1ACKR3
SCHEMBL11847285 0.79 CES2 (0.57) CES2CES1ACKR3RAB9ANPC1
SCHEMBL3907360 0.76 CES2 (0.53) CES2CES1ACKR3RAB9ANPC1
SCHEMBL9827785 0.76 CES2 (0.53) CES2CES1ACKR3RAB9ANPC1
SCHEMBL20268270 0.76 CES2 (0.53) CES2CES1ACKR3RAB9ANPC1

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed