SCHEMBL6741793

SCHEMBL6741793

COC(=O)Oc1ccc(C(=O)Oc2ccc3ccc(=O)oc3c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.79
KMT2A Q03164 8/20 0.74
CA12 O43570 6/20 0.70
CA9 Q16790 6/20 0.70
POLB P06746 3/20 0.70
MEN1 O00255 2/20 0.68
KDM4E B2RXH2 7/20 0.60
GLA P06280 3/20 0.60
GAA P10253 3/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 5/20 0.55
HPGD P15428 3/20 0.55
CA1 P00915 1/20 0.55
CA3 P07451 1/20 0.55
AKR1B1 P15121 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL8425143 0.91 KDM4E (0.72) GBA1KMT2ACA12CA9POLB
SCHEMBL6044337 0.85 KMT2A (1.00) GBA1KMT2ACA12CA9POLB
SCHEMBL6743424 0.84 KMT2A (0.78) GBA1KMT2ACA12CA9POLB
SCHEMBL15335372 0.82 KMT2A (1.00) GBA1KMT2ACA12CA9POLB
SCHEMBL9006755 0.82 KMT2A (0.70) GBA1KMT2ACA12CA9POLB
SCHEMBL30186490 0.82 KMT2A (0.74) GBA1KMT2ACA12CA9POLB
SCHEMBL18288754 0.80 KMT2A (0.70) GBA1KMT2ACA12CA9POLB
SCHEMBL21194993 0.79 KMT2A (0.70) GBA1KMT2ACA12CA9POLB
SCHEMBL10442289 0.78 KMT2A (0.65) GBA1KMT2ACA12CA9POLB
SCHEMBL13384905 0.78 KMT2A (0.67) GBA1KMT2ACA12CA9POLB

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-6692797-B1 ACHIEVING ALIGNMENT OF LIQUID CRYSTAL MATERIALS ON A SUBSTRATE SURFACE QINETIQ LIMITED (GB) 2004-02-17 US disclosed
WO-2000055151-A1 PHOTOACTIVE PENTAERYTHRITOL DERIVATIVES AND ORIENTATION LAYERS QINETIQ LIMITED (GB) 2000-09-21 WO disclosed