SCHEMBL7996905

SCHEMBL7996905

CCCCCCCOCCC=C=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
CES2 O00748 2/20 0.42
CA1 P00915 8/20 0.39
CA2 P00918 8/20 0.39
CA9 Q16790 7/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38

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
SCHEMBL10524010 0.78 TSHR (0.52) THRBKMT2AMAPT
SCHEMBL9630316 0.78 TSHR (0.52) THRBKMT2AMAPT
SCHEMBL7776600 0.78 TSHR (0.52) THRBKMT2AMAPT
SCHEMBL548516 0.78 TSHR (0.52) THRBKMT2AMAPT
SCHEMBL21114323 0.78 TSHR (0.52) THRBKMT2AMAPT
SCHEMBL2230288 0.78 TSHR (0.52) THRBKMT2AMAPT
SCHEMBL11522614 0.78 TSHR (0.52) THRBKMT2AMAPT
SCHEMBL93548 0.78 TSHR (0.52) THRBKMT2AMAPT
SCHEMBL93395 0.78 TSHR (0.52) THRBKMT2AMAPT
SCHEMBL39394 0.78

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
WO-2001004078-A1 AGGREGATION PHEROMONE FOR THE ASIAN LONGHORNED BEETLE, ANOPLOPHORA GLABRIPENNIS () COLEOPTERA: CERAMBYCIDAE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2001-01-18 WO disclosed