SCHEMBL10779372

SCHEMBL10779372

C=CC=Cc1ccc(Oc2ccc(C=CC=C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
PTPN1 P18031 1/20 0.39
TSHR P16473 3/20 0.39
TP53 P04637 2/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MDM2 Q00987 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PARP10 Q53GL7 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
SCHEMBL10779368 1.00 ALDH1A1 (0.41) ALDH1A1LMNANPC1RAB9AMEN1
SCHEMBL10572842 0.82 KDM4E (0.59) ALDH1A1LMNANPC1RAB9ATSHR
SCHEMBL10572851 0.82 KDM4E (0.59) ALDH1A1LMNANPC1RAB9ATSHR
SCHEMBL29222910 0.81 KDM4E (0.42) ALDH1A1LMNANPC1RAB9AMEN1
SCHEMBL20024709 0.78 ALDH1A1 (0.55) ALDH1A1LMNANPC1RAB9AMEN1
SCHEMBL4445282 0.77 ALDH1A1 (0.61) ALDH1A1LMNANPC1RAB9ATSHR
SCHEMBL28830628 0.77 CYP2D6 (0.43) ALDH1A1KMT2AL3MBTL1TSHRMAPT
SCHEMBL2622615 0.74 MAOB (0.64) ALDH1A1LMNANPC1RAB9AMEN1
SCHEMBL18318759 0.74 MAPT (0.62) ALDH1A1LMNANPC1RAB9AMEN1
SCHEMBL27272351 0.74 TLR4 (0.55) LMNANPC1RAB9AMEN1KMT2A

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
EP-0249365-A2 Photocatalysts for vinyl compounds activated by an electron donating hetero atom LOCTITE (IRELAND) Ltd. (IE) 1987-12-16 EP claimed