SCHEMBL9152912

SCHEMBL9152912

C=CC(O)(C#Cc1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NLRP3 Q96P20 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
APP P05067 2/20 0.39
NR1H2 P55055 1/20 0.39
TRPA1 O75762 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
CA4 P22748 1/20 0.36
LTA4H P09960 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9148911 0.94 APP (0.42) MAPTMEN1NPC1POLBRAB9A
SCHEMBL23064946 0.79 KMT2A (0.46) MAPTMEN1NPC1POLBRAB9A
SCHEMBL19124263 0.79 L3MBTL1 (0.47) MAPTMEN1NPC1POLBRAB9A
SCHEMBL19148941 0.79 L3MBTL1 (0.47) MAPTMEN1NPC1POLBRAB9A
SCHEMBL30778216 0.78 MAPT (0.47) MAPTMEN1NPC1POLBRAB9A
SCHEMBL7586236 0.75 MEN1 (0.44) MAPTMEN1NPC1POLBRAB9A
SCHEMBL23064942 0.74 APP (0.49) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL28803424 0.73 KIF11 (0.46) MEN1KMT2ALMNATRPA1CA4
SCHEMBL28598728 0.71 NR1H2 (0.49) MAPTMEN1NPC1POLBRAB9A
SCHEMBL5552160 0.70 APP (0.65) MAPTMEN1NPC1POLBRAB9A

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
EP-0662968-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1995-07-19 EP disclosed
EP-0662968-A4 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS. PPG INDUSTRIES INC (US) 1995-04-12 EP disclosed
WO-1994007889-A1 PHOTOCHROMIC NAPHTHOPYRAN COMPOUNDS PPG INDUSTRIES, INC. (US) 1994-04-14 WO disclosed