SCHEMBL11228264

SCHEMBL11228264

OC(C#CI)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
MEN1 O00255 1/20 0.46
CYP2D6 P10635 1/20 0.46
KMT2A Q03164 1/20 0.46
AKR1C3 P42330 1/20 0.45
ALOX5 P09917 2/20 0.43
MAOB P27338 1/20 0.41
LTA4H P09960 2/20 0.39
TSHR P16473 1/20 0.39
NPY5R Q15761 1/20 0.39
FFAR1 O14842 1/20 0.38
SRD5A2 P31213 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CETP P11597 1/20 0.36
NPC1 O15118 1/20 0.36
NR1H2 P55055 1/20 0.36
BAX Q07812 1/20 0.36

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
SCHEMBL11278018 0.84 PTGS1 (0.50) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL10703179 0.84 PTGS1 (0.54) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL10784527 0.83 PTGS1 (0.49) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL29890128 0.80 TSHR (0.60) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL10550089 0.80 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL10686594 0.80 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL1677135 0.80 TSHR (0.60) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL30045078 0.80 TSHR (0.60) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL8577668 0.80 PTGS1 (0.57) PTGS1MEN1CYP2D6KMT2AAKR1C3
SCHEMBL192456 0.80 TSHR (0.60) PTGS1MEN1CYP2D6KMT2AAKR1C3

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
US-4349567-A Dihalovinylcyclopropanecarboxylic acid esters and their use in pest control CIBA-GEIGY CORPORATION (US) 1982-09-14 US disclosed
US-4331682-A Cyclopropanecarboxylic acid-α-haloethynyl-m-phenoxybenzyl esters and their use for combating insect pests CIBA-GEIGY CORPORATION (US) 1982-05-25 US disclosed