SCHEMBL28137672

SCHEMBL28137672

C=CC=COC(=O)CCCC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
DGKA P23743 1/20 0.38
CES1 P23141 2/20 0.38
CES2 O00748 1/20 0.38
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
TK1 P04183 1/20 0.35
PAM P19021 2/20 0.35
CA1 P00915 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
MIF P14174 1/20 0.34
FAAH O00519 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
SCHEMBL28407338 0.94 TSHR (0.51) TSHRDGKACES1CES2LMNA
SCHEMBL28173939 0.93 TSHR (0.54) TSHRDGKACES1CES2LMNA
SCHEMBL28403872 0.93 TSHR (0.54) TSHRDGKACES1CES2LMNA
SCHEMBL28398377 0.93 TSHR (0.54) TSHRDGKACES1CES2LMNA
SCHEMBL27685839 0.91 TSHR (0.53) TSHRDGKACES1CES2LMNA
Hexanoate SCHEMBL28828199 0.88 AKR1B1 (0.52) TSHRLMNAALDH1A1MAPT
SCHEMBL27691616 0.88 ALDH1A1 (0.39) TSHRDGKALMNAALDH1A1TK1
SCHEMBL28774913 0.86 LMNA (0.42) TSHRDGKALMNAALDH1A1TK1
SCHEMBL28213970 0.86 LMNA (0.42) TSHRDGKALMNAALDH1A1TK1
SCHEMBL19746061 0.83 TSHR (0.32) TSHR

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
CN-111240156-A Photosensitive resin composition, method for producing patterned cured film, and patterned cured film 东京应化工业株式会社 2020-06-05 CN disclosed
CN-106573133-A Implants for localized drug delivery and methods of use thereof 加利福尼亚大学董事会 2017-04-19 CN disclosed