SCHEMBL936005

SCHEMBL936005

COC(CNN1CCOCC1)OC

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.34
PDE4D Q08499 1/20 0.32
GLA P06280 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
LIPE Q05469 1/20 0.31
KDM1A O60341 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
MGLL Q99685 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL935599 0.81 TSHR (0.34) HTR4LIPEALDH1A1HPGD
SCHEMBL10924227 0.77 CTSL (0.36) CA12CA1CA2CA9KDM1A
SCHEMBL935284 0.76 GNAI3 (0.42)
SCHEMBL3707562 0.72 HTR4 (0.32) HTR4
SCHEMBL13451264 0.69 TDP1 (0.47) HTR4LIPEKDM1AALDH1A1HPGD
SCHEMBL658288 0.69
SCHEMBL4961023 0.68 USP2 (0.52) ALDH1A1
SCHEMBL8378379 0.68 CA12 (0.34) GLACA12CA1CA2CA9
SCHEMBL3707560 0.68 HTR4 (0.34) HTR4GLACA12CA1CA2
SCHEMBL3706388 0.68 HTR4 (0.34) HTR4GLACA12CA1CA2

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-2011006808-A1 CROSS-LINKABLE ORGANOSILICON-BASED COMPOSITIONS WACKER CHEMIE AG (DE) 2011-01-20 WO disclosed