SCHEMBL11314591

SCHEMBL11314591

C=CC(=O)OC(C)NC(C)CCCCCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH4 P08319 1/20 0.44
ADH7 P40394 1/20 0.44
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
ABCB1 P08183 1/20 0.40
FAAH O00519 6/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 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
SCHEMBL11304792 1.00 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11314426 0.98 TSHR (0.42) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11342389 0.94 TSHR (0.46) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11316613 0.88 TSHR (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11304377 0.88 TSHR (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11307934 0.88 TSHR (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11304441 0.88 TSHR (0.41) ADH1BADH1CADH1AADH4ADH7
SCHEMBL5274872 0.87 TSHR (0.39) TSHRHPGDFAAHTHRBTHRA
SCHEMBL11313527 0.87 TSHR (0.43) ADH1BADH1CADH1AADH4ADH7
SCHEMBL11306790 0.87 TSHR (0.43) ADH1BADH1CADH1AADH4ADH7

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