SCHEMBL16499178

SCHEMBL16499178

COC(=O)Cc1ccc(OCCc2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.57
CYP4A11 Q02928 1/20 0.57
ALDH1A1 P00352 4/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 1/20 0.50
FFAR1 O14842 1/20 0.48
HSP90AB1 P08238 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PDE4A P27815 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CALM1 P0DP23 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA4 P22748 1/20 0.46

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
SCHEMBL3335445 0.88 FFAR1 (0.63) CYP4F2CYP4A11NPC1RAB9AMAPT
SCHEMBL16511748 0.86 LTB4R (0.57) CYP4F2CYP4A11ALDH1A1NPC1RAB9A
SCHEMBL112488 0.83 CYP4F2 (0.66) CYP4F2CYP4A11ALDH1A1NPC1RAB9A
SCHEMBL15522740 0.82 CYP4F2 (0.66) CYP4F2CYP4A11ALDH1A1NPC1RAB9A
SCHEMBL7646563 0.82 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL27517466 0.82 CYP4F2 (0.63) CYP4F2CYP4A11ALDH1A1NPC1RAB9A
SCHEMBL27624350 0.82 ESR1 (0.56) NPC1RAB9ASMN1; SMN2MAPTFFAR1
SCHEMBL2633187 0.81 CYP4F2 (0.64) CYP4F2CYP4A11ALDH1A1NPC1RAB9A
SCHEMBL10076459 0.81 ALDH1A1 (0.55) CYP4F2CYP4A11ALDH1A1NPC1RAB9A
SCHEMBL2628190 0.81 SMN1; SMN2 (0.59) CYP4F2CYP4A11ALDH1A1NPC1RAB9A

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
WO-2011154678-A1 COMPOUNDS ASTRAZENECA AB (SE) 2011-12-15 WO disclosed
WO-2011154678-A1 COMPOUNDS ASTRAZENECA AB (SE) 2011-12-15 WO disclosed