SCHEMBL19085379

SCHEMBL19085379

C=C(C)C(=O)OC(C)(C)CCOC(C)(C)CCCCCCCCCCCC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
CES2 O00748 3/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 2/20 0.33
SMPD1 P17405 2/20 0.31
NAAA Q02083 1/20 0.31
DGKA P23743 1/20 0.31
GGPS1 O95749 1/20 0.31
THRA P10827 1/20 0.31

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
SCHEMBL28769247 0.91 TSHR (0.53) TSHRCES2MEN1MAPTKMT2A
SCHEMBL28232252 0.91 TSHR (0.53) TSHRCES2MEN1MAPTKMT2A
SCHEMBL10447459 0.91 TSHR (0.53) TSHRCES2MEN1MAPTKMT2A
SCHEMBL5856021 0.89 TSHR (0.50) TSHRCES2MEN1MAPTKMT2A
SCHEMBL12696514 0.84 CES2 (0.38) TSHRCES2MEN1MAPTKMT2A
SCHEMBL703086 0.84 TSHR (0.47) TSHRMEN1MAPTKMT2AATM
SCHEMBL7706289 0.84 TSHR (0.41) TSHRTHRB
SCHEMBL7701376 0.84 TSHR (0.41) TSHRTHRB
SCHEMBL7709308 0.84 TSHR (0.41) TSHRTHRB
SCHEMBL10049532 0.83 THRB (0.37) TSHRTHRB

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
US-20170190825-A1 ACTIVE ENERGY RAY-CURABLE COMPOSITION AND ANTISTATIC FILM FUJIFILM CORPORATION (JP) 2017-07-06 US disclosed