SCHEMBL3663250

SCHEMBL3663250

Nc1c(Br)cc(C2(C(=O)O)CCCC2)cc1OCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
CNR2 P34972 7/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
AKR1C1 Q04828 1/20 0.36
MAP4K4 O95819 2/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33

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
SCHEMBL3659739 0.86 OPRM1 (0.36) THRATHRB
SCHEMBL3661404 0.84 OPRM1 (0.36) THRATHRB
SCHEMBL15112552 0.81 MEN1 (0.36) THRBCNR2MEN1KMT2ATSHR
SCHEMBL3663585 0.81 MEN1 (0.43) CNR2MEN1KMT2ATSHRAKR1C1
SCHEMBL15112675 0.79 ALDH1A1 (0.36) THRBCNR2MEN1KMT2ATSHR
SCHEMBL15111291 0.77 APP (0.46) AKR1C1MAP4K4
SCHEMBL15112699 0.73 MEN1 (0.40) CNR2MEN1KMT2ATSHRAKR1C1
SCHEMBL13968086 0.71 OPRM1 (0.40) MEN1KMT2AMAP4K4PDE4APDE4B
SCHEMBL13968084 0.70 MAP4K4 (0.39) CNR2MEN1KMT2ATSHRMAP4K4
SCHEMBL3654280 0.70 PARP15 (0.37) THRATHRBCNR2MAP4K4PDE4A

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