SCHEMBL29073161

SCHEMBL29073161

CCCCC#CCCOCCCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
THRB P10828 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 1/20 0.50
CES2 O00748 2/20 0.42
PTPN7 P35236 3/20 0.41
HMGCR P04035 1/20 0.41
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 2/20 0.39
CES1 P23141 1/20 0.38
RECQL P46063 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
SCHEMBL9717336 0.91 MEN1 (0.54) HTTTHRBMEN1KMT2AMAPT
SCHEMBL28225664 0.88 MEN1 (0.50) HTTTHRBMEN1KMT2AMAPT
SCHEMBL25754168 0.84 HTT (0.48) HTTTHRBMEN1KMT2AMAPT
SCHEMBL25754199 0.83 HTT (0.52) HTTTHRBMEN1KMT2AMAPT
SCHEMBL25754201 0.83 HTT (0.47) HTTTHRBMEN1KMT2AMAPT
SCHEMBL21044638 0.80 THRB (0.70) HTTTHRBMEN1KMT2AMAPT
SCHEMBL21044639 0.80 THRB (0.70) HTTTHRBMEN1KMT2AMAPT
SCHEMBL21044710 0.80 THRB (0.70) HTTTHRBMEN1KMT2AMAPT
SCHEMBL21828421 0.80 THRB (0.70) HTTTHRBMEN1KMT2AMAPT
SCHEMBL21044729 0.80 THRB (0.70) HTTTHRBMEN1KMT2AMAPT

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
CN-116782913-A Nanomaterials comprising acetals 比姆医疗股份有限公司 2023-09-19 CN disclosed