SCHEMBL16370882

SCHEMBL16370882

Cc1ccc(OC(C(C)O)N2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
FKBP1A P62942 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MMP2 P08253 2/20 0.38
MMP9 P14780 2/20 0.38
MMP3 P08254 1/20 0.38
MAPK1 P28482 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
SCHEMBL16370623 0.88 MEN1 (0.56) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL16370718 0.84 SMN1; SMN2 (0.50) MEN1KMT2ATP53ALDH1A1HPGD
SCHEMBL16371037 0.83 KMT2A (0.51) MEN1KMT2AALDH1A1HSD17B10L3MBTL1
Hydrochloric Acid SCHEMBL16371043 0.83 FKBP1A (0.49) MEN1KMT2ATP53ALDH1A1HPGD
SCHEMBL16371130 0.80 SMN1; SMN2 (0.49) MEN1KMT2ATP53ALDH1A1FKBP1A
SCHEMBL16370936 0.80 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HPGDFKBP1A
SCHEMBL16370596 0.78 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL16370542 0.77 SMN1; SMN2 (0.41) MEN1KMT2ATP53ALDH1A1USP2
SCHEMBL6832889 0.72 CHRNB2 (0.39) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL20553615 0.69 SLC6A2 (0.49) CYP2C19MEN1KMT2AALDH1A1USP2

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