SCHEMBL3663585

SCHEMBL3663585

Nc1ccc(C2(C(=O)O)CCCC2)cc1OCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
MAP4K4 O95819 2/20 0.41
LMNA P02545 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SELP P16109 4/20 0.39
SELL P14151 3/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CNR2 P34972 1/20 0.38
PARP15 Q460N3 2/20 0.37
PARP10 Q53GL7 2/20 0.37
PARP2 Q9UGN5 1/20 0.37
XDH P47989 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37

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
SCHEMBL3659629 0.85 F2 (0.42) LMNA
SCHEMBL15112699 0.82 MEN1 (0.40) MEN1KMT2ATSHRMAP4K4LMNA
SCHEMBL3658325 0.82 OPRM1 (0.42)
SCHEMBL3663250 0.81 THRA (0.40) MEN1KMT2ATSHRMAP4K4AKR1C1
SCHEMBL15112582 0.80 MEN1 (0.44) MEN1KMT2ATSHRMAP4K4LMNA
SCHEMBL1203220 0.78 MAP4K4 (0.49) MAP4K4AKR1C1CNR2
SCHEMBL1203325 0.78 APP (0.54) AKR1C1
SCHEMBL15112563 0.78 MEN1 (0.44) MEN1KMT2ATSHRMAP4K4LMNA
SCHEMBL1203268 0.76 CYP3A4 (0.56) MAP4K4AKR1C1CNR2
SCHEMBL1201805 0.75 CYP3A4 (0.41) MEN1KMT2ATSHRMAP4K4AKR1C1

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
WO-2013106328-A1 TETRASUBSTITUTED BENZENES FOR TREATMENT OF EARLY ONSET ALZHEIMER'S DISEASE ENVIVO PHARMACEUTICALS, INC. (US) 2013-07-18 WO disclosed
EP-2234954-A1 TETRASUBSTITUTED BENZENES Envivo Pharmaceuticals, Inc. (US) 2010-10-06 EP disclosed
WO-2009086277-A1 TETRASUBSTITUTED BENZENES ENVIVO PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed