SCHEMBL9492872

SCHEMBL9492872

C=CCOc1ccccc1C=CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.58
HPGD P15428 2/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
LIG1 P18858 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 2/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SLC22A1 O15245 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42

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
SCHEMBL3659231 0.81 HPGD (0.66) HSD17B10HPGDTSHRMAPK1MEN1
SCHEMBL9722020 0.81 SMN1; SMN2 (0.50) HPGDMAPK1MEN1KMT2AALDH1A1
SCHEMBL9788863 0.81 MEN1 (0.50) HPGDMAPK1MEN1KMT2AALDH1A1
SCHEMBL9722015 0.81 SMN1; SMN2 (0.50) HPGDMAPK1MEN1KMT2AALDH1A1
SCHEMBL566437 0.81 CDK4 (0.61) HSD17B10HPGDTSHRMAPK1MEN1
SCHEMBL566438 0.81 CDK4 (0.61) HSD17B10HPGDTSHRMAPK1MEN1
SCHEMBL10436451 0.79 MAPT (0.51) HPGDMAPK1MEN1KMT2AALDH1A1
SCHEMBL9625931 0.79 MEN1 (0.49) HPGDMAPK1MEN1KMT2AALDH1A1
SCHEMBL10436448 0.79 MAPT (0.51) HPGDMAPK1MEN1KMT2AALDH1A1
SCHEMBL9626007 0.79 MEN1 (0.49) HPGDMAPK1MEN1KMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0229033-B1 THIOL/ENE COMPOSITIONS LOCTITE (IRELAND) Ltd. (IE) 1993-03-03 EP disclosed
US-5021512-A Curable LOCTITE (IRELAND) LTD. (IE) 1991-06-04 US disclosed
EP-0229033-A2 Thiol/ene compositions LOCTITE (IRELAND) Ltd. (IE) 1987-07-15 EP disclosed