SCHEMBL17690155

SCHEMBL17690155

COC1O[C@H](C)C[C@H](N(C)C(=O)N2CCOCC2)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MMP13 P45452 1/20 0.32
PDE4A P27815 1/20 0.31
TSHR P16473 1/20 0.31
GNRHR P30968 1/20 0.31
GLA P06280 1/20 0.31
USP2 O75604 1/20 0.31
PKM P14618 1/20 0.31
MLYCD O95822 1/20 0.30
TK1 P04183 1/20 0.30

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
SCHEMBL7995464 0.84 MAPT (0.43) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL6873524 0.84 MAPT (0.43) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL17690042 0.82 MAPT (0.41) MAPTPOLBKMT2AKDM4ELMNA
SCHEMBL19606600 0.76 LGALS8 (0.32) LMNATSHR
SCHEMBL15494051 0.74 CYP3A4 (0.36) LMNATSHR
SCHEMBL12942461 0.74 CYP3A4 (0.36) LMNATSHR
SCHEMBL15494059 0.74 CYP3A4 (0.36) LMNATSHR
SCHEMBL6876833 0.73 MAPT (0.43) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL8004202 0.73 MAPT (0.43) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL19606620 0.72 KCNH2 (0.37) LMNAGNRHR

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-2464651-B1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-04-20 EP disclosed