SCHEMBL11316617

SCHEMBL11316617

C=CC(=O)OCC(CCCCCC)NCCCCCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.52
HPGD P15428 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.40
PLA2G2C Q5R387 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PLA2G2A P14555 1/20 0.36
EPHX1 P07099 4/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
MAPT P10636 1/20 0.36
ABCB1 P08183 1/20 0.35
FAAH O00519 1/20 0.35

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
SCHEMBL11304384 1.00 TSHR (0.52) TSHRHPGDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11304446 1.00 TSHR (0.52) TSHRHPGDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11336587 1.00 TSHR (0.52) TSHRHPGDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11307971 1.00 TSHR (0.52) TSHRHPGDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11306799 0.97 TSHR (0.56) TSHRHPGDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11313536 0.97 TSHR (0.56) TSHRHPGDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11316669 0.94 TSHR (0.52) TSHRHPGDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11304221 0.94 TSHR (0.52) TSHRHPGDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11320994 0.94 TSHR (0.52) TSHRHPGDZDHHC20ZDHHC2ZDHHC7
SCHEMBL11307724 0.93 TSHR (0.54) TSHRHPGDZDHHC20ZDHHC2ZDHHC7

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-4268602-A Photosensitive O-quinone diazide containing composition TORAY INDUSTRIES, LTD. (JP) 1981-05-19 US disclosed