SCHEMBL16797441

SCHEMBL16797441

CCOc1ccc(OC(=O)c2ccco2)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.65
NPC1 O15118 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
TP53 P04637 2/20 0.65
KMT2A Q03164 13/20 0.63
MAPT P10636 2/20 0.63
PKM P14618 1/20 0.57
ALDH1A1 P00352 5/20 0.56
HSD17B10 Q99714 2/20 0.56
LMNA P02545 1/20 0.55
CYP3A4 P08684 1/20 0.53
HIF1A Q16665 1/20 0.53
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL13381577 0.86 KMT2A (0.75) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL10892540 0.82 KMT2A (0.56) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL14130698 0.81 KMT2A (0.72) RAB9ANPC1SMN1; SMN2TP53KMT2A
Furostilbestrol SCHEMBL2109382 0.81 KMT2A (0.68) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL16797440 0.79 KMT2A (0.74) SMN1; SMN2KMT2AMAPTALDH1A1HSD17B10
SCHEMBL5943067 0.79 KMT2A (0.76) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL25054068 0.79 KMT2A (0.74) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL12647712 0.79 KMT2A (0.66) RAB9ANPC1SMN1; SMN2KMT2AMAPT
SCHEMBL13802894 0.78 KMT2A (0.64) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL9047691 0.78 KMT2A (0.64) RAB9ANPC1SMN1; SMN2TP53KMT2A

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
EP-3079680-A2 COMPOSITIONS AND METHODS FOR TREATING, PREVENTING AND DIAGNOSING CANCER AND OTHER PROLIFERATIVE DISORDERS Angiogenex, Inc. (US) 2016-10-19 EP disclosed
WO-2015089495-A2 COMPOSITIONS AND METHODS FOR TREATING, PREVENTING AND DIAGNOSING CANCER AND OTHER PROLIFERATIVE DISORDERS ANGIOGENEX, INC. (US) 2015-06-18 WO disclosed