SCHEMBL16370623

SCHEMBL16370623

COc1ccc(OC(C(C)O)N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 3/20 0.51
CYP2D6 P10635 1/20 0.48
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.43
FKBP1A P62942 1/20 0.43
AKR1C3 P42330 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BLM P54132 1/20 0.43
P4HB P07237 1/20 0.43
SMAD3 P84022 1/20 0.43

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
SCHEMBL16370882 0.88 CYP1A2 (0.47) MEN1KMT2AALDH1A1L3MBTL1FKBP1A
SCHEMBL16370718 0.81 SMN1; SMN2 (0.50) MEN1KMT2AALDH1A1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL16371043 0.80 FKBP1A (0.49) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL16370936 0.80 ALDH1A1 (0.46) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL16371130 0.80 SMN1; SMN2 (0.49) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL16370596 0.78 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL16371037 0.77 KMT2A (0.51) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL8983621 0.74 ALDH1A1 (0.65) MEN1KMT2AALDH1A1LMNAL3MBTL1
SCHEMBL16370542 0.74 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL3936978 0.72 PKM (0.59) ALDH1A1LMNAL3MBTL1SMN1; SMN2POLB

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
WO-2015004485-A1 THERAPEUTIC COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-01-15 WO claimed
WO-2015004485-A1 THERAPEUTIC COMPOUNDS ISIS INNOVATION LIMITED (GB) 2015-01-15 WO disclosed