SCHEMBL4778014

SCHEMBL4778014

Cc1cccc(O[C@H](I)C(C)O)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
HTR1B P28222 1/20 0.38
POLB P06746 1/20 0.37
TRPA1 O75762 1/20 0.36
ATM Q13315 1/20 0.36
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
KEAP1 Q14145 1/20 0.34
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CASP1 P29466 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 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
SCHEMBL516150 0.81 MAPT (0.44) MAPTHTR1BPOLBTRPA1ATM
SCHEMBL3720870 0.77 MAPT (0.47) MAPTHTR1BPOLBTRPA1ATM
SCHEMBL5325948 0.77 MAPT (0.47) MAPTHTR1BPOLBTRPA1ATM
SCHEMBL3956867 0.76 HTR1B (0.42) MAPTHTR1BPOLBTRPA1ATM
SCHEMBL14271680 0.73 MAPT (0.44) MAPTHTR1BPOLBTRPA1ATM
Bromide SCHEMBL25206394 0.72 MAPT (0.43) MAPTHTR1BPOLBTRPA1ATM
SCHEMBL12476734 0.71 TRPA1 (0.61) MAPTHTR1BPOLBTRPA1ATM
SCHEMBL16234636 0.71 TSHR (0.46) MAPTPOLBKMT2AKDM4ELMNA
SCHEMBL6506744 0.71 ADRB2 (0.40) MAPTHTR1BPOLBKMT2AKDM4E
SCHEMBL16955002 0.71 MAPT (0.46) MAPTHTR1BPOLBTRPA1ATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008016811-A2 AMINOPIPERIDINES AND REALTED COMPOUNDS NEUROGEN CORPORATION (US) 2008-02-07 WO disclosed