SCHEMBL7828267

SCHEMBL7828267

CCCCOc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 15/20 1.00
THRB P10828 1/20 0.70
TP53 P04637 1/20 0.65
MAPT P10636 1/20 0.65
MEN1 O00255 2/20 0.65
NPC1 O15118 2/20 0.65
KMT2A Q03164 2/20 0.65
POLB P06746 1/20 0.64
RAB9A P51151 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64

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
SCHEMBL4247021 0.89 NR1H4 (0.80) NR1H4THRBTP53MAPTMEN1
SCHEMBL6577705 0.88 NR1H4 (0.78) NR1H4THRBTP53MAPTMEN1
SCHEMBL4257510 0.86 NR1H4 (0.76) NR1H4THRBMAPTMEN1NPC1
SCHEMBL9306724 0.85 NR1H4 (0.77) NR1H4TP53MAPT
SCHEMBL9713307 0.85 NR1H4 (0.76) NR1H4THRBTP53MAPTMEN1
SCHEMBL7824191 0.83 TRPV1 (0.75) NR1H4MEN1KMT2A
SCHEMBL9165641 0.83 NR1H4 (0.73) NR1H4THRBTP53MAPTMEN1
SCHEMBL9453351 0.83 NR1H4 (0.73) NR1H4MAPTMEN1NPC1KMT2A
SCHEMBL23657447 0.83 NR1H4 (0.70) NR1H4THRBTP53MAPTMEN1
SCHEMBL6580077 0.82 NR1H4 (0.70) NR1H4THRBTP53MAPTMEN1

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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed